| CAS Number | 64697-24-1 |
| Catalog Number | AG00J2K2(AGN-PC-0NIQM9) |
| Chemical Name | (3-Oxo-1,3-dihydro-2h-indazol-2-yl)acetic acid |
| IUPAC Name | 2-(3-oxo-1H-indazol-2-yl)acetic acid |
| InChI | InChI=1S/C9H8N2O3/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10-11/h1-4,10H,5H2,(H,12,13) |
| InChI Key | KMEBPFQYIKJQIG-UHFFFAOYSA-N |
| MDL Number | MFCD16171059 |
| Molecular Formula | C9H8N2O3 |
| Molecular Weight | 192.1714 |
| SMILES | N1(CC(O)=O)NC2C(=CC=CC=2)C1=O |
| Synonyms | 64697-24-1,
(3-oxo-1,3-dihydro-2H-indazol-2-yl)acetic acid,
(3-oxo-1H-indazol-2-yl)acetic acid,
2-(3-Oxo-1H-indazol-2(3H)-yl)acetic acid,
2-(3-oxo-2,3-dihydro-1H-indazol-2-yl)acetic acid,
KMEBPFQYIKJQIG-UHFFFAOYSA-N,
ALBB-016236,
MFCD16171059,
STL476631,
AKOS015959815,
ZINC100153690,
MCULE-9472624821,
Y-7644,
2H-Indazole-2-acetic acid, 1,3-dihydro-3-oxo-,
Z2510258122,
2-(3-oxo-1H-indazol-2-yl)acetic acid,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.174g/mol |
| Monoisotopic Mass | 192.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number