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100718-97-6 | Pentanoic acid, 4-(benzoylamino)-3-oxo-, ethyl ester
CAS No: 100718-97-6 Catalog No: AG0002PH MDL No:
Product Description
Catalog Number:
AG0002PH
Chemical Name:
Pentanoic acid, 4-(benzoylamino)-3-oxo-, ethyl ester
CAS Number:
100718-97-6
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
IUPAC Name:
ethyl 4-benzamido-3-oxopentanoate
InChI:
InChI=1S/C14H17NO4/c1-3-19-13(17)9-12(16)10(2)15-14(18)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,15,18)
InChI Key:
OCNMHVFOMZVWHC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)C(NC(=O)c1ccccc1)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.293g/mol
Monoisotopic Mass:
263.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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