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4340-44-7 | 5-methyl-3-phenylisoxazole-4-carboxamide
CAS No: 4340-44-7 Catalog No: AG00DZKM MDL No:MFCD00119360
Product Description
Catalog Number:
AG00DZKM
Chemical Name:
5-methyl-3-phenylisoxazole-4-carboxamide
CAS Number:
4340-44-7
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD00119360
IUPAC Name:
5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
InChI:
InChI=1S/C11H10N2O2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,14)
InChI Key:
CFEABDMXHARUJU-UHFFFAOYSA-N
SMILES:
NC(=O)c1c(C)onc1c1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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