(1r,4r)-4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid

(1r,4r)-4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid

CAS: 183996-92-1

Formula: C10H18O3

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

IUPAC: (1r,4r)-4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid

InChI: InChI=1/C10H18O3/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h7-8,13H,3-6H2,1-2H3,(H,11,12)/t7-,8-

Composition: C (64.49%), H (9.74%), O (25.77%)

Molar Mass: 186.251

Atom Count: 31

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	186.12559444
Formal Charge	0
FSP3	0.9
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	AVMLEZXKTFPIFG-ZKCHVHJHNA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.3
Topological Polar Surface Area	57.53
Polarizability	19.58
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	183996-92-1		$244.63-$1,008.80$244.63$392.17$673.37$1,008.80