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1772-61-8 | Cyclopentanecarboxylic acid, 5-oxo-2,3-diphenyl-, 1-methylethyl ester
CAS No: 1772-61-8 Catalog No: AG00255Q MDL No:
Product Description
Catalog Number:
AG00255Q
Chemical Name:
Cyclopentanecarboxylic acid, 5-oxo-2,3-diphenyl-, 1-methylethyl ester
CAS Number:
1772-61-8
Molecular Formula:
C21H22O3
Molecular Weight:
322.3976
IUPAC Name:
propan-2-yl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate
InChI:
InChI=1S/C21H22O3/c1-14(2)24-21(23)20-18(22)13-17(15-9-5-3-6-10-15)19(20)16-11-7-4-8-12-16/h3-12,14,17,19-20H,13H2,1-2H3
InChI Key:
ZSDHSBCDXLZBGK-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C1C(=O)CC(C1c1ccccc1)c1ccccc1)C
NSC Number:
77742
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.157g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.404g/mol
Monoisotopic Mass:
322.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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