(1R,6S)-6-(methoxycarbonyl)cyclohex-3-ene-1-carboxylic acid

(1R,6S)-6-(methoxycarbonyl)cyclohex-3-ene-1-carboxylic acid

CAS: 88335-93-7

Formula: C9H12O4

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

IUPAC: (1R,6S)-6-(methoxycarbonyl)cyclohex-3-ene-1-carboxylic acid

InChI: InChI=1S/C9H12O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-3,6-7H,4-5H2,1H3,(H,10,11)/t6-,7+/m1/s1

Composition: C (58.69%), H (6.57%), O (34.74%)

Molar Mass: 184.191

Atom Count: 25

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	184.073558866
Formal Charge	0
FSP3	0.56
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MYYLMIDEMAPSGH-RQJHMYQMSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.97
Topological Polar Surface Area	63.6
Polarizability	17.7
Ring Count	1
Rotatable Bond Count	3

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