Chem Methyl Cyclohex 3 Enecarboxylate AlkaliMetal

Compound 175
  CheckMol                        TMF02:r0:m0
MF=C8H12O2 MW=140.18
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5109   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220    2.2663   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2748    2.2663   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6322    1.5227   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5614    1.5345   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2630    3.7772   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8480    2.3017   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5496    4.5444   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8362    3.8126   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  1  0  0
  4  7  1  0  1  0  0
  6  8  1  0  1  0  0
  7  9  1  0  1  0  0
  8 10  2  0  1  0  0
  9 10  1  0  1  0  0
M  END

Methyl Cyclohex-3-Enecarboxylate

₹ 0.00 0.00

Chemical Name - Methyl Cyclohex-3-Enecarboxylate
Mol Weight - 140.181
Smiles - COC(C1CC=CCC1)=O

Property Name	Property Value
Mol Name	Methyl Cyclohex-3-Enecarboxylate
Molweight	140.181
Monoisotopic Mass	140.08373
Clogp	1.1975
Clogs	-1.685
H Acceptors	2
Total Surface Area	120.29
Relative Psa	0.19154
Polar Surface Area	26.3
Druglikeness	-7.4883
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.7
Molecular Flexibility	0.54336
Molecular Complexity	0.61821
Fragments	1
Non H Atoms	10
Non Ch Atoms	2
Electronegative Atoms	2
Stereo Centers	1
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Sp3 Atoms	6
Smiles	COC(C1CC=CCC1)=O
InChIKey	InChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3
InChI	IPUNVLFESXFVFH-UHFFFAOYSA-N

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Methyl Cyclohex-3-Enecarboxylate