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3085-54-9 | Formamide, N-(4-methylphenyl)-
CAS No: 3085-54-9 Catalog No: AG0031I4 MDL No:
Product Description
Catalog Number:
AG0031I4
Chemical Name:
Formamide, N-(4-methylphenyl)-
CAS Number:
3085-54-9
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
IUPAC Name:
N-(4-methylphenyl)formamide
InChI:
InChI=1S/C8H9NO/c1-7-2-4-8(5-3-7)9-6-10/h2-6H,1H3,(H,9,10)
InChI Key:
GRVKDWHXLFEVBP-UHFFFAOYSA-N
SMILES:
O=CNc1ccc(cc1)C
EC Number:
221-400-3
NSC Number:
68098
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.166g/mol
Monoisotopic Mass:
135.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| N-(4-Methyl-phen-yl)formamide. | Acta crystallographica. Section E, Structure reports online 20120601 |
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