methyl (1s,4s)-4-hydroxycyclohexane-1-carboxylate

methyl (1s,4s)-4-hydroxycyclohexane-1-carboxylate

CAS: 627556

Formula: C8H14O3

SMILES: COC(=O)[C@@H]1CC[C@H](O)CC1

IUPAC: methyl (1s,4s)-4-hydroxycyclohexane-1-carboxylate

InChI: InChI=1/C8H14O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6-7,9H,2-5H2,1H3/t6-,7+

Composition: C (60.74%), H (8.92%), O (30.34%)

Molar Mass: 158.197

Atom Count: 25

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	158.094294311
Formal Charge	0
FSP3	0.87
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HYDYVXROZHFTGB-KNVOCYPGNA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.28
Topological Polar Surface Area	46.53
Polarizability	16.16
Ring Count	1
Rotatable Bond Count	2

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