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784086-73-3 | N-(3-acetylphenyl)-5-methylisoxazole-3-carboxamide
CAS No: 784086-73-3 Catalog No: AG00JBY8 MDL No:MFCD03419834
Product Description
Catalog Number:
AG00JBY8
Chemical Name:
N-(3-acetylphenyl)-5-methylisoxazole-3-carboxamide
CAS Number:
784086-73-3
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
MDL Number:
MFCD03419834
IUPAC Name:
N-(3-acetylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C13H12N2O3/c1-8-6-12(15-18-8)13(17)14-11-5-3-4-10(7-11)9(2)16/h3-7H,1-2H3,(H,14,17)
InChI Key:
SGJOBFPSDSIHJF-UHFFFAOYSA-N
SMILES:
Cc1onc(c1)C(=O)Nc1cccc(c1)C(=O)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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