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1772-63-0 | Cyclopentanecarboxylic acid, 5-oxo-2,3-diphenyl-, 1,1-dimethylethyl ester
CAS No: 1772-63-0 Catalog No: AG00255O MDL No:
Product Description
Catalog Number:
AG00255O
Chemical Name:
Cyclopentanecarboxylic acid, 5-oxo-2,3-diphenyl-, 1,1-dimethylethyl ester
CAS Number:
1772-63-0
Molecular Formula:
C22H24O3
Molecular Weight:
336.4242
IUPAC Name:
tert-butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate
InChI:
InChI=1S/C22H24O3/c1-22(2,3)25-21(24)20-18(23)14-17(15-10-6-4-7-11-15)19(20)16-12-8-5-9-13-16/h4-13,17,19-20H,14H2,1-3H3
InChI Key:
HUINMZVYBSWLCT-UHFFFAOYSA-N
SMILES:
O=C1CC(C(C1C(=O)OC(C)(C)C)c1ccccc1)c1ccccc1
NSC Number:
77739
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.173g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.431g/mol
Monoisotopic Mass:
336.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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