Chem 4 Methyl 7 Hydroxy Coumarin Clarion

Compound 17
  CheckMol                        TMF02:r0:m0
MF=C10H8O3 MW=176.17
 13 14  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2979   -0.7502   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2860   -2.2505   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
    2.5958    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5839   -2.9888   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8937   -0.7383   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8818   -2.2267   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5720   -4.4891   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1916    0.0238   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1797   -2.9769   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8699   -5.2393   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1678   -4.4772   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8580   -6.7396   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3 01  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  2  0  0
  5  8 01  0  1  0  0
  6  9  1  0  0  0  0
  7 10 01  0  1  0  0
  8 11 02  0  1  0  0
 10 12 02  0  1  0  0
 11 13  1  0  0  0  0
  6  7 01  0  1  0  0
 11 12 01  0  1  0  0
M  END

4-Methyl-7-Hydroxy Coumarin

₹ 0.00 0.00

Chemical Name - 4-Methyl-7-Hydroxy Coumarin
Mol Weight - 176.171
Smiles - CC(c(ccc(O)c1)c1O1)=CC1=O

Property Name	Property Value
Mol Name	4-Methyl-7-Hydroxy Coumarin
Molweight	176.171
Monoisotopic Mass	176.047345
Clogp	1.2299
Clogs	-1.803
H Acceptors	3
H Donors	1
Total Surface Area	130.83
Relative Psa	0.27624
Polar Surface Area	46.53
Druglikeness	-7.1335
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.53846
Molecular Flexibility	0.12387
Molecular Complexity	0.72323
Fragments	1
Non H Atoms	13
Non Ch Atoms	3
Electronegative Atoms	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Smiles	CC(c(ccc(O)c1)c1O1)=CC1=O
InChIKey	InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
InChI	HSHNITRMYYLLCV-UHFFFAOYSA-N

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4-Methyl-7-Hydroxy Coumarin