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688051-08-3

688051-08-3 | 3-Isoxazolecarboxamide,N-1,3-benzodioxol-5-yl-5-methyl-(9CI)

CAS No: 688051-08-3 Catalog No: AG00FTGZ MDL No:

Product Description

Catalog Number:
AG00FTGZ
Chemical Name:
3-Isoxazolecarboxamide,N-1,3-benzodioxol-5-yl-5-methyl-(9CI)
CAS Number:
688051-08-3
IUPAC Name:
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C12H10N2O4/c1-7-4-9(14-18-7)12(15)13-8-2-3-10-11(5-8)17-6-16-10/h2-5H,6H2,1H3,(H,13,15)
InChI Key:
UPDNUZSLPBHEPI-UHFFFAOYSA-N

Properties

Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.064g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.222g/mol
Monoisotopic Mass:
246.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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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