200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 696646-55-6
696646-55-6 | 4-(5-METHYL-3-NITRO-PYRAZOL-1-YL)-BUTYRIC ACID
CAS No: 696646-55-6 Catalog No: AG00FF87 MDL No:MFCD03834506
Product Description
Catalog Number:
AG00FF87
Chemical Name:
4-(5-METHYL-3-NITRO-PYRAZOL-1-YL)-BUTYRIC ACID
CAS Number:
696646-55-6
Molecular Formula:
C8H11N3O4
Molecular Weight:
213.1906
MDL Number:
MFCD03834506
IUPAC Name:
4-(5-methyl-3-nitropyrazol-1-yl)butanoic acid
InChI:
InChI=1S/C8H11N3O4/c1-6-5-7(11(14)15)9-10(6)4-2-3-8(12)13/h5H,2-4H2,1H3,(H,12,13)
InChI Key:
VYLGYJSYRJTZMP-UHFFFAOYSA-N
SMILES:
OC(=O)CCCn1nc(cc1C)[N+](=O)[O-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.193g/mol
Monoisotopic Mass:
213.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.