| CAS Number | 1355694-40-4 |
| Catalog Number | AG01AB93 |
| Chemical Name | 2-[4-(ethoxycarbonyl)-5-imino-2,5-dihydro-1H-pyrazol-1-yl]acetic acid |
| IUPAC Name | 2-(5-amino-4-ethoxycarbonylpyrazol-1-yl)acetic acid |
| InChI | InChI=1S/C8H11N3O4/c1-2-15-8(14)5-3-10-11(7(5)9)4-6(12)13/h3H,2,4,9H2,1H3,(H,12,13) |
| InChI Key | OBJUAERJNANQAH-UHFFFAOYSA-N |
| MDL Number | MFCD26143905 |
| Molecular Formula | C8H11N3O4 |
| Molecular Weight | 213.1906 |
| SMILES | CCOC(C1C(=N)N(CC(O)=O)NC=1)=O |
| Synonyms | 2-[4-(ethoxycarbonyl)-5-imino-2,5-dihydro-1H-pyrazol-1-yl]acetic acid,
1355694-40-4,
[5-amino-4-(ethoxycarbonyl)-1H-pyrazol-1-yl]acetic acid,
AC1Q331X,
HTS028317,
ZINC57218759,
AKOS012580586,
ZINC100819862,
MCULE-3609891896,
NE53625,
EN300-70823,
Z1259273381,
2-[5-amino-4-(ethoxycarbonyl)-1H-pyrazol-1-yl]acetic acid,
C8H11N3O4,
|
| Complexity | 258 |
| 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 | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.193g/mol |
| Monoisotopic Mass | 213.075g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number