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16108-16-0 | Benzamide, N-methyl-N-(2-oxo-1-phenylethenyl)-
CAS No: 16108-16-0 Catalog No: AG001VMR MDL No:
Product Description
Catalog Number:
AG001VMR
Chemical Name:
Benzamide, N-methyl-N-(2-oxo-1-phenylethenyl)-
CAS Number:
16108-16-0
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
N-methyl-N-[2-(6-oxocyclohexa-2,4-dien-1-yl)ethenyl]benzamide
InChI:
InChI=1S/C16H15NO2/c1-17(16(19)14-8-3-2-4-9-14)12-11-13-7-5-6-10-15(13)18/h2-13H,1H3
InChI Key:
QLZAQVBDFPESQW-UHFFFAOYSA-N
SMILES:
O=C=C(N(C(=O)c1ccccc1)C)c1ccccc1
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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