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83402-87-3 | Benzenebutanoic acid, a-oxo-, methyl ester
CAS No: 83402-87-3 Catalog No: AG0054L7 MDL No:MFCD08056218
Product Description
Catalog Number:
AG0054L7
Chemical Name:
Benzenebutanoic acid, a-oxo-, methyl ester
CAS Number:
83402-87-3
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD08056218
IUPAC Name:
methyl 2-oxo-4-phenylbutanoate
InChI:
InChI=1S/C11H12O3/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChI Key:
DMZGURNRYOUAGC-UHFFFAOYSA-N
SMILES:
CC(C(=O)C(=O)O)Cc1ccccc1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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