(1S,3R)-3-(methoxycarbonyl)cyclopentane-1-carboxylic acid

(1S,3R)-3-(methoxycarbonyl)cyclopentane-1-carboxylic acid

CAS: 96443-42-4

Formula: C8H12O4

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

IUPAC: (1S,3R)-3-(methoxycarbonyl)cyclopentane-1-carboxylic acid

InChI: InChI=1S/C8H12O4/c1-12-8(11)6-3-2-5(4-6)7(9)10/h5-6H,2-4H2,1H3,(H,9,10)/t5-,6+/m0/s1

Composition: C (55.81%), H (7.03%), O (37.17%)

Molar Mass: 172.18

Atom Count: 24

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	172.073558866
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FVUHGTQDOMGZOT-NTSWFWBYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.25
Topological Polar Surface Area	63.6
Polarizability	16.13
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	96443-42-4		$213.11$213.11