| CAS Number | 76424-48-1 |
| Catalog Number | AG01A837(AGN-PC-015Z4R) |
| Chemical Name | 4-nitro-5-propyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 4-nitro-5-propyl-1H-pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C7H9N3O4/c1-2-3-4-6(10(13)14)5(7(11)12)9-8-4/h2-3H2,1H3,(H,8,9)(H,11,12) |
| InChI Key | WTLTYNIWFANVBQ-UHFFFAOYSA-N |
| MDL Number | MFCD09053119 |
| Molecular Formula | C7H9N3O4 |
| Molecular Weight | 199.1641 |
| SMILES | CCCC1=C([N+]([O-])=O)C(C(O)=O)=NN1 |
| Synonyms | 4-nitro-5-propyl-1H-pyrazole-3-carboxylic acid,
76424-48-1,
SCHEMBL902,
AC1Q2UQ6,
CTK6D4502,
WTLTYNIWFANVBQ-UHFFFAOYSA-N,
ZINC22160152,
AKOS000136151,
AKOS009140565,
MCULE-1931543801,
NE24902,
EN300-60602,
4-Nitro-3-n-propyl-1H-pyrazole-5-carboxylic acid,
Z1259155896,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.166g/mol |
| Monoisotopic Mass | 199.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number