(1S)-cyclohex-3-ene-1-carboxylic acid

(1S)-cyclohex-3-ene-1-carboxylic acid

CAS: 5708-19-0

Formula: C7H10O2

SMILES: OC(=O)[C@H]1CCC=CC1

IUPAC: (1S)-cyclohex-3-ene-1-carboxylic acid

InChI: InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)/t6-/m1/s1

Composition: C (66.65%), H (7.99%), O (25.36%)

Molar Mass: 126.155

Atom Count: 19

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	126.068079562
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	VUSWCWPCANWBFG-ZCFIWIBFSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.96
Topological Polar Surface Area	37.3
Polarizability	13.18
Ring Count	1
Rotatable Bond Count	1

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