2-Benzotriazol-1-yl-propionic acid - CAS 4144-65-4
Catalog: |
BB073877 |
Product Name: |
2-Benzotriazol-1-yl-propionic acid |
CAS: |
4144-65-4 |
Synonyms: |
2-Benzotriazol-1-yl-propionic acid; 2-(benzotriazol-1-yl)propanoic acid; 2-(1H-Benzo[d][1,2,3]triazol-1-yl)propanoic acid; 2-(1h-1,2,3-benzotriazol-1-yl)propanoic acid; alpha-Methyl-1H-benzotriazole-1-acetic acid |
IUPAC Name: | 2-(benzotriazol-1-yl)propanoic acid |
Molecular Weight: | 191.19 |
Molecular Formula: | C9H9N3O2 |
Canonical SMILES: | CC(C(=O)O)N1C2=CC=CC=C2N=N1 |
InChI: | InChI=1S/C9H9N3O2/c1-6(9(13)14)12-8-5-3-2-4-7(8)10-11-12/h2-6H,1H3,(H,13,14) |
InChI Key: | MCHYXZGLOIXABY-UHFFFAOYSA-N |
Solubility: | 9.7 ug/ml |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.069476538 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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