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82342-64-1 | 3-Cyclohexene-1-carboxylic acid, 5-phenyl-, methyl ester, cis-
CAS No: 82342-64-1 Catalog No: AG00541G MDL No:
Product Description
Catalog Number:
AG00541G
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 5-phenyl-, methyl ester, cis-
CAS Number:
82342-64-1
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
methyl (1R,5R)-5-phenylcyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C14H16O2/c1-16-14(15)13-9-5-8-12(10-13)11-6-3-2-4-7-11/h2-8,12-13H,9-10H2,1H3/t12-,13+/m0/s1
InChI Key:
ULCBPNCTTBOBMY-QWHCGFSZSA-N
SMILES:
COC(=O)[C@@H]1CC=C[C@@H](C1)c1ccccc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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