3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)propanoic acid - CAS 53304-46-4
Catalog: |
BB066190 |
Product Name: |
3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)propanoic acid |
CAS: |
53304-46-4 |
Synonyms: |
3-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}propanoic acid; triazolopropionic acid; 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid; 3-Oxo-1,2,4-triazolo(4,3-a)pyridine-2(3H)-propanoic acid; 3-Oxo-1,2,4-triazolo[4,3-a]pyridine-2(3H)-propanoic acid; beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid; 1,2,4-Triazolo(4,3-a)pyridine-2(3H)-propanoic acid, 3-oxo- |
IUPAC Name: | 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid |
Molecular Weight: | 207.18 |
Molecular Formula: | C9H9N3O3 |
Canonical SMILES: | C1=CC2=NN(C(=O)N2C=C1)CCC(=O)O |
InChI: | InChI=1S/C9H9N3O3/c13-8(14)4-6-12-9(15)11-5-2-1-3-7(11)10-12/h1-3,5H,4,6H2,(H,13,14) |
InChI Key: | DXVGDKXFBVHCCE-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 397 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.06439116 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.06439116 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 73.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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