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130504-04-0 | Cyclopentanecarboxylic acid, 2-(diphenylmethyl)-, ethyl ester, (1R,2R)-rel-
CAS No: 130504-04-0 Catalog No: AG000UIX MDL No:
Product Description
Catalog Number:
AG000UIX
Chemical Name:
Cyclopentanecarboxylic acid, 2-(diphenylmethyl)-, ethyl ester, (1R,2R)-rel-
CAS Number:
130504-04-0
Molecular Formula:
C21H24O2
Molecular Weight:
308.4141
IUPAC Name:
ethyl 2-benzhydrylcyclopentane-1-carboxylate
InChI:
InChI=1S/C21H24O2/c1-2-23-21(22)19-15-9-14-18(19)20(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18-20H,2,9,14-15H2,1H3
InChI Key:
PFRHDGJZRZALTH-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@@H]1CCC[C@@H]1C(c1ccccc1)c1ccccc1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.178g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.421g/mol
Monoisotopic Mass:
308.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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