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1772-59-4 | Cyclopentanecarboxylic acid, 5-oxo-2,3-diphenyl-, 3-methylbutyl ester
CAS No: 1772-59-4 Catalog No: AG00255S MDL No:
Product Description
Catalog Number:
AG00255S
Chemical Name:
Cyclopentanecarboxylic acid, 5-oxo-2,3-diphenyl-, 3-methylbutyl ester
CAS Number:
1772-59-4
Molecular Formula:
C23H26O3
Molecular Weight:
350.4507
IUPAC Name:
3-methylbutyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate
InChI:
InChI=1S/C23H26O3/c1-16(2)13-14-26-23(25)22-20(24)15-19(17-9-5-3-6-10-17)21(22)18-11-7-4-8-12-18/h3-12,16,19,21-22H,13-15H2,1-2H3
InChI Key:
HGHIWXFWEIFLTK-UHFFFAOYSA-N
SMILES:
CC(CCOC(=O)C1C(=O)CC(C1c1ccccc1)c1ccccc1)C
NSC Number:
77738
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.188g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.458g/mol
Monoisotopic Mass:
350.188g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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