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860344-53-2 | Benzoic acid, 4-(1-oxopropyl)-, phenylmethyl ester
CAS No: 860344-53-2 Catalog No: AG004V1H MDL No:
Product Description
Catalog Number:
AG004V1H
Chemical Name:
Benzoic acid, 4-(1-oxopropyl)-, phenylmethyl ester
CAS Number:
860344-53-2
Molecular Formula:
C17H16O3
Molecular Weight:
268.3071
IUPAC Name:
benzyl 4-propanoylbenzoate
InChI:
InChI=1S/C17H16O3/c1-2-16(18)14-8-10-15(11-9-14)17(19)20-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChI Key:
FGCFCSNQQCEYGE-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(cc1)C(=O)OCc1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.312g/mol
Monoisotopic Mass:
268.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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