| CAS Number | 1099152-06-3 |
| Catalog Number | AG019ZJM |
| Chemical Name | 3-[(1H-1,2,3-benzotriazol-5-yl)formamido]propanoic acid |
| IUPAC Name | 3-(2H-benzotriazole-5-carbonylamino)propanoic acid |
| InChI | InChI=1S/C10H10N4O3/c15-9(16)3-4-11-10(17)6-1-2-7-8(5-6)13-14-12-7/h1-2,5H,3-4H2,(H,11,17)(H,15,16)(H,12,13,14) |
| InChI Key | ATRCYWSADFBGIA-UHFFFAOYSA-N |
| MDL Number | MFCD11648479 |
| Molecular Formula | C10H10N4O3 |
| Molecular Weight | 234.2114 |
| SMILES | OC(CCNC(C1=CC2=C(NN=N2)C=C1)=O)=O |
| Synonyms | 3-(1H-1,2,3-benzotriazol-5-ylformamido)propanoic acid,
1099152-06-3,
SCHEMBL13000352,
ZINC37434006,
AKOS009363567,
MCULE-7339751292,
NE49556,
Z1318432120,
3-[(1H-1,2,3-benzotriazol-5-yl)formamido]propanoic acid,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.215g/mol |
| Monoisotopic Mass | 234.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number