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3-(2-oxocyclohexyl)propanoic acid

3-(2-oxocyclohexyl)propanoic acid

CAS: 2275-26-5

Formula: C9H14O3

SMILES: OC(=O)CCC1CCCCC1=O

IUPAC: 3-(2-oxocyclohexyl)propanoic acid

InChI: InChI=1/C9H14O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h7H,1-6H2,(H,11,12)

Composition: C (63.51%), H (8.29%), O (28.20%)

Molar Mass: 170.208

Atom Count: 26

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 170.094294311
Formal Charge 0
FSP3 0.78
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JCIZEWRBCTUEFG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.69
Topological Polar Surface Area 54.37
Polarizability 17.2
Ring Count 1
Rotatable Bond Count 3

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