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88812-96-8

88812-96-8 | 3-Isoxazolecarboxamide, N-(4-methoxyphenyl)-5-methyl-

CAS No: 88812-96-8 Catalog No: AG004AS3 MDL No:

Product Description

Catalog Number:
AG004AS3
Chemical Name:
3-Isoxazolecarboxamide, N-(4-methoxyphenyl)-5-methyl-
CAS Number:
88812-96-8
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
IUPAC Name:
N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C12H12N2O3/c1-8-7-11(14-17-8)12(15)13-9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,13,15)
InChI Key:
CXMVISKUGWXAFS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)c1noc(c1)C

Properties

Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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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