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158668-63-4 | Benzamide, N-(3-oxopropyl)-
CAS No: 158668-63-4 Catalog No: AG001QQP MDL No:
Product Description
Catalog Number:
AG001QQP
Chemical Name:
Benzamide, N-(3-oxopropyl)-
CAS Number:
158668-63-4
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
N-(3-oxopropyl)benzamide
InChI:
InChI=1S/C10H11NO2/c12-8-4-7-11-10(13)9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2,(H,11,13)
InChI Key:
AZQMNFAAZUVCHK-UHFFFAOYSA-N
SMILES:
O=CCCNC(=O)c1ccccc1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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