| CAS Number | 221681-76-1 |
| Catalog Number | AG00BHCF(AGN-PC-0WAL3W) |
| Chemical Name | 2-(1H-Indazol-6-yl)ethanoic acid, 6-(Carboxymethyl)-1H-indazole |
| IUPAC Name | 2-(1H-indazol-6-yl)acetic acid |
| InChI | InChI=1S/C9H8N2O2/c12-9(13)4-6-1-2-7-5-10-11-8(7)3-6/h1-3,5H,4H2,(H,10,11)(H,12,13) |
| InChI Key | JJGUMOZTDWDNCG-UHFFFAOYSA-N |
| MDL Number | MFCD20483631 |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.1720 |
| SMILES | C1=CC2=C(C=C1CC(=O)O)NN=C2 |
| Synonyms | 221681-76-1,
2-(1H-indazol-6-yl)acetic acid,
1H-Indazole-6-acetic acid,
1H-Indazol-6-ylacetic acid,
1H-indazol-6-yl acetic acid,
SCHEMBL3089662,
JJGUMOZTDWDNCG-UHFFFAOYSA-N,
2-(2H-indazol-6-yl)acetic acid,
MFCD20483631,
ZINC82868810,
AKOS022909526,
AKOS024126651,
MCULE-7095984014,
NE16625,
FT-0764396,
Z1836338798,
2-(1H-Indazol-6-yl)ethanoic acid, 6-(Carboxymethyl)-1H-indazole,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.175g/mol |
| Monoisotopic Mass | 176.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number