3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}propanoic acid - CAS 933742-81-5
Catalog: |
BB040884 |
Product Name: |
3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}propanoic acid |
CAS: |
933742-81-5 |
Synonyms: |
3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanoic acid; 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanoic acid |
IUPAC Name: | 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanoic acid |
Description: | 3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}propanoic acid (CAS# 933742-81-5 ) is a useful research chemical. |
Molecular Weight: | 191.19 |
Molecular Formula: | C9H9N3O2 |
Canonical SMILES: | C1=CC2=NN=C(N2C=C1)CCC(=O)O |
InChI: | InChI=1S/C9H9N3O2/c13-9(14)5-4-8-11-10-7-3-1-2-6-12(7)8/h1-3,6H,4-5H2,(H,13,14) |
InChI Key: | QGVSNCJYPULNLT-UHFFFAOYSA-N |
Complexity: | 222 |
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: | 3 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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