methyl (1S,3R)-3-hydroxycyclohexane-1-carboxylate

methyl (1S,3R)-3-hydroxycyclohexane-1-carboxylate

CAS: 149055-86-7

Formula: C8H14O3

SMILES: COC(=O)[C@H]1CCC[C@@H](O)C1

IUPAC: methyl (1S,3R)-3-hydroxycyclohexane-1-carboxylate

InChI: InChI=1S/C8H14O3/c1-11-8(10)6-3-2-4-7(9)5-6/h6-7,9H,2-5H2,1H3/t6-,7+/m0/s1

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	2
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	OXQRLBFDJMSRMM-NKWVEPMBSA-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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