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

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

CAS: 75877-66-6

Formula: C9H16O3

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

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

InChI: InChI=1/C9H16O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8,10H,2-6H2,1H3/t7-,8+

Composition: C (62.77%), H (9.36%), O (27.87%)

Molar Mass: 172.224

Atom Count: 28

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	172.109944375
Formal Charge	0
FSP3	0.89
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BZKQJSLASWRDNE-OCAPTIKFNA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.03
Topological Polar Surface Area	46.53
Polarizability	17.99
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	75877-66-6		$11.35-$471.61$11.35$41.61$134.93$471.61