| CAS Number | 1019110-35-0 |
| Catalog Number | AG01A9LO |
| Chemical Name | 3-[(2H-indazol-3-yl)formamido]propanoic acid |
| IUPAC Name | 3-(1H-indazole-3-carbonylamino)propanoic acid |
| InChI | InChI=1S/C11H11N3O3/c15-9(16)5-6-12-11(17)10-7-3-1-2-4-8(7)13-14-10/h1-4H,5-6H2,(H,12,17)(H,13,14)(H,15,16) |
| InChI Key | WTVWOWGKQKGHJV-UHFFFAOYSA-N |
| MDL Number | MFCD11126333 |
| Molecular Formula | C11H11N3O3 |
| Molecular Weight | 233.2233 |
| SMILES | OC(CCNC(C1=C2C(C=CC=C2)=NN1)=O)=O |
| Synonyms | 3-(2H-indazol-3-ylformamido)propanoic acid,
1019110-35-0,
AC1Q75MN,
ZINC19271478,
AKOS000153158,
MCULE-8356442570,
NE29645,
EN300-65451,
3-[(2H-indazol-3-yl)formamido]propanoic acid,
Z1259161964,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.227g/mol |
| Monoisotopic Mass | 233.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number