(1s,4s)-4-(methoxycarbonyl)cyclohexane-1-carboxylic acid

(1s,4s)-4-(methoxycarbonyl)cyclohexane-1-carboxylic acid

CAS: 1011-85-4

Formula: C9H14O4

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

IUPAC: (1s,4s)-4-(methoxycarbonyl)cyclohexane-1-carboxylic acid

InChI: InChI=1/C9H14O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7+

Composition: C (58.05%), H (7.58%), O (34.37%)

Molar Mass: 186.207

Atom Count: 27

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	186.089208931
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZQJNPHCQABYENK-KNVOCYPGNA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.85
Topological Polar Surface Area	63.6
Polarizability	17.95
Ring Count	1
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	1011-85-4		$9.20-$1,604.25$9.20$12.65$29.90$118.45$221.95$550.85$1,604.25

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<6 Days	1011-85-4		$17.25-$1,748.00$17.25$36.80$116.15$197.80$493.35$1,748.00

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1011-85-4		$22.70-$2,337.89$22.70$40.35$47.92$150.06$290.03$720.03$2,337.89