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167837-57-2 | Benzamide, 4-formyl-N-methyl-
CAS No: 167837-57-2 Catalog No: AG001XNP MDL No:MFCD09759030
Product Description
Catalog Number:
AG001XNP
Chemical Name:
Benzamide, 4-formyl-N-methyl-
CAS Number:
167837-57-2
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD09759030
IUPAC Name:
4-formyl-N-methylbenzamide
InChI:
InChI=1S/C9H9NO2/c1-10-9(12)8-4-2-7(6-11)3-5-8/h2-6H,1H3,(H,10,12)
InChI Key:
PUQLPZUXDZETND-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccc(cc1)C=O
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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