7239-79-4

CAS Number: 7239-79-4

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[CH2-]O.C[C-]1[C-](C)[C-](C)[C-](C)[C-]1C.C[c-]1c(C)c(C)c(C)c1C.[CH-]=O.[CH-]=O.[CH-]=O.[Mo]=[Mo].[cH-]1cccc1.[cH-]1cccc1.[Co].[Co]

Molecule Information

Mutagenic: none Tumorigenic: none Irritant: none

Formula

Mo2.Co.Co.CHO.CHO.CHO.CH3O.C10H15.C5H5.C5H5.C10H15

Molecular Weight

135.229

Drug-likeness

-2.4599

CAS

7239-79-4

InChI key

QLBVKVNUOBQREU-UHFFFAOYSA-N

SMILES

[CH2-]O.C[C-]1[C-](C)[C-](C)[C-](C)[C-]1C.C[c-]1c(C)c(C)c(C)c1C.[CH-]=O.[CH-]=O.[CH-]=O.[Mo]=[Mo].[cH-]1cccc1.[cH-]1cccc1.[Co].[Co]

ChemrytIQ

CAS Information Snapshot

1 database item

Mutagenic

none

Tumorigenic

none

Handling Watch

Irritant: none | Reproductive effective: none

Molecule Information
Related CAS

Property	Value
CAS Number	7239-79-4
Molecule Name	7239-79-4
Molecular Formula	Mo2.Co.Co.CHO.CHO.CHO.CH3O.C10H15.C5H5.C5H5.C10H15
SMILES	[CH2-]O.C[C-]1[C-](C)[C-](C)[C-](C)[C-]1C.C[c-]1c(C)c(C)c(C)c1C.[CH-]=O.[CH-]=O.[CH-]=O.[Mo]=[Mo].[cH-]1cccc1.[cH-]1cccc1.[Co].[Co]
InChI	InChI=1S/2C10H15.2C5H5.CH3O.3CHO.2Co.2Mo/c21-6-7(2)9(4)10(5)8(6)3;21-2-4-5-3-1;41-2;;;;/h21-5H3;21-5H;2H,1H2;31H;;;;/q-5;7*-1;;;;
InChI Key	QLBVKVNUOBQREU-UHFFFAOYSA-N
CanonicalSyTyLFy	2d67a1c982c6bf78
TotalMolweight	828.481
Molecular Weight	135.229
MonoisotopicMass	135.117375
CLogP	2.9931
CLogS	-3.155
TotalSurfaceArea	122.35
Drug-likeness	-2.4599
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Complexity	0.73271
Fragments	11
Non HAtoms	10
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	6
Symmetricatoms	4

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CAS Number	Mutagenic	Tumorigenic	Irritant	Molecule Formula	Mol Weight	Druglikeness	ChemrytIQ
10002-30-9	none	none	none	C12H9NOS	215.275	0.083087	ChemrytIQ
10002-37-6	none	none	none	C9H16N2O	168.239	-3.8085	ChemrytIQ
10000-20-1	none	low	high	C12H32N2Si2	260.572	-64.51	ChemrytIQ
1000068-65-4	none	none	none	C13H15NO4BF	279.074	-46.077	ChemrytIQ
1000-69-7	high	none	low	C7H18SSn	252.996	-9.6969	ChemrytIQ
100016-73-7	high	high	high	C6H5OCl.C10H16O.CH2O	152.236	-3.7075	ChemrytIQ
1000-22-2	low	high	low	C6H14O2FPS	200.213	-11.052	ChemrytIQ
1000339-26-3	none	none	none	C14H7N2OBrCl2	370.033	-0.59356	ChemrytIQ
10002-97-8	none	none	none	C18H30O2	278.434	0.24997	ChemrytIQ
100-50-5	none	none	high	C7H10O	110.155	-9.6048	ChemrytIQ
100-00-5	none	none	none	C6H4NO2Cl	157.556	-7.4592	ChemrytIQ
100-34-5	none	none	none	Cl.C6H5N2	105.12	-4.365	ChemrytIQ
100011-00-5	none	none	none	C15H24O2	236.354	-18.044	ChemrytIQ
100-81-2	none	none	none	C8H11N	121.182	-2.1005	ChemrytIQ
100004-95-3	none	none	none	C13H11NO3	229.234	-1.3547	ChemrytIQ
100-59-4	none	none	none	Cl.C6H5Mg	101.411	-2.3575	ChemrytIQ
100-39-0	high	high	none	C7H7Br	171.037	-7.8241	ChemrytIQ
100-48-1	none	none	none	C6H4N2	104.112	-6.0498	ChemrytIQ
100-71-0	none	none	none	C7H9N	107.155	-2.2725	ChemrytIQ
1000018-24-5	none	none	none	C12H18N4O3	266.3	-0.33651	ChemrytIQ
100004-79-3	none	none	none	C13H11NO2	213.235	-1.5864	ChemrytIQ
100016-58-8	none	high	none	C19H19NO5	341.362	1.8385	ChemrytIQ
10003-94-8	none	none	none	C9H16N2O18P4	564.118	-31.509	ChemrytIQ
100-67-4	none	none	none	K.C6H5O	93.1047	-2.2548	ChemrytIQ
100-93-6	high	high	high	C19H18N2O2S	338.43	-12.848	ChemrytIQ
1000058-38-7	none	none	none	C11H12N2O2	204.228	-4.6529	ChemrytIQ
1000269-66-8	none	none	none	C12H20N4	220.319	0.5423	ChemrytIQ
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1000339-29-6	none	none	none	C14H15N2OBr	307.19	-5.8756	ChemrytIQ
100-58-3	none	none	none	Br.C6H5Mg	101.411	-2.3575	ChemrytIQ
1000018-59-6	none	none	low	C10H15O2BrS	279.197	-14.078	ChemrytIQ
100-53-8	none	high	high	C7H8S	124.207	-6.3177	ChemrytIQ
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100-12-9	none	none	none	C8H9NO2	151.164	-7.7443	ChemrytIQ
1000269-67-9	none	none	none	C13H22N4	234.346	0.99367	ChemrytIQ
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100020-34-6	none	none	none	C13H18S2	238.418	-0.23079	ChemrytIQ
1000269-65-7	none	none	none	C12H19N3	205.304	0.25629	ChemrytIQ
100-52-7	high	high	high	C7H6O	106.124	-4.225	ChemrytIQ
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100-68-5	none	none	none	C7H8S	124.207	-1.735	ChemrytIQ
1000339-55-8	none	none	none	C9H7O2F3	204.147	-12.197	ChemrytIQ
1000339-54-7	none	none	none	C9H7O2F3	204.147	-11.176	ChemrytIQ
017257-81-7	none	none	none	C6H10O2	114.143	0.9106	ChemrytIQ
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100-01-6	none	none	none	C6H6N2O2	138.126	-7.2389	ChemrytIQ
100-75-4	high	high	high	C5H10N2O	114.147	-0.86877	ChemrytIQ
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