methyl (1r,4r)-4-hydroxy-1-methylcyclohexane-1-carboxylate

methyl (1r,4r)-4-hydroxy-1-methylcyclohexane-1-carboxylate

CAS: 87787-02-8

Formula: C9H16O3

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

IUPAC: methyl (1r,4r)-4-hydroxy-1-methylcyclohexane-1-carboxylate

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

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	BAGVQRARNBDKOA-XWEPSHTINA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.79
Topological Polar Surface Area	46.53
Polarizability	17.99
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	87787-02-8		$308.95-$477.92$308.95$477.92