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Home > Nitro Compounds > 887408-84-6
887408-84-6 | 2-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YL)-PROPIONIC ACID
CAS No: 887408-84-6 Catalog No: AG00GS9S MDL No:MFCD04967179
Product Description
Catalog Number:
AG00GS9S
Chemical Name:
2-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YL)-PROPIONIC ACID
CAS Number:
887408-84-6
Molecular Formula:
C8H11N3O4
Molecular Weight:
213.1906
MDL Number:
MFCD04967179
IUPAC Name:
2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoic acid
InChI:
InChI=1S/C8H11N3O4/c1-4-7(11(14)15)5(2)10(9-4)6(3)8(12)13/h6H,1-3H3,(H,12,13)
InChI Key:
CANKNXFHGALOMF-UHFFFAOYSA-N
SMILES:
OC(=O)C(n1nc(c(c1C)[N+](=O)[O-])C)C
Properties
Complexity:
278
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:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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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