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882-36-0 | N-Benzyl-3-oxobutanamide
CAS No: 882-36-0 Catalog No: AG003SRK MDL No:MFCD00026260
Product Description
Catalog Number:
AG003SRK
Chemical Name:
N-Benzyl-3-oxobutanamide
CAS Number:
882-36-0
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD00026260
IUPAC Name:
N-benzyl-3-oxobutanamide
InChI:
InChI=1S/C11H13NO2/c1-9(13)7-11(14)12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)
InChI Key:
KOHNUEXAOQRRPI-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)C)NCc1ccccc1
EC Number:
212-928-5
UNII:
T6Y9L5W6QO
NSC Number:
60240
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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