methyl 3-oxocyclohexane-1-carboxylate

methyl 3-oxocyclohexane-1-carboxylate

CAS: 13148-83-9

Formula: C8H12O3

SMILES: COC(=O)C1CCCC(=O)C1

IUPAC: methyl 3-oxocyclohexane-1-carboxylate

InChI: InChI=1/C8H12O3/c1-11-8(10)6-3-2-4-7(9)5-6/h6H,2-5H2,1H3

Composition: C (61.52%), H (7.74%), O (30.73%)

Molar Mass: 156.181

Atom Count: 23

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	156.078644246
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MAEFSJWFUPHVPY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.26
Topological Polar Surface Area	43.37
Polarizability	15.62
Ring Count	1
Rotatable Bond Count	2

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