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956985-41-4 | 4-(5-Isoxazolyl)-1-methyl-1H-pyrazole-3-carboxylic acid
CAS No: 956985-41-4 Catalog No: AG00JA2G MDL No:MFCD05667169
Product Description
Catalog Number:
AG00JA2G
Chemical Name:
4-(5-Isoxazolyl)-1-methyl-1H-pyrazole-3-carboxylic acid
CAS Number:
956985-41-4
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
MDL Number:
MFCD05667169
IUPAC Name:
1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C8H7N3O3/c1-11-4-5(6-2-3-9-14-6)7(10-11)8(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
NPLQXISDTNDUQP-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)c1ccno1)C(=O)O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.162g/mol
Monoisotopic Mass:
193.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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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