3-([1,2,4]Triazolo[1,5-a]pyrimidin-2-yl)propanoic acid - CAS 1018170-77-8
Catalog: |
BB052907 |
Product Name: |
3-([1,2,4]Triazolo[1,5-a]pyrimidin-2-yl)propanoic acid |
CAS: |
1018170-77-8 |
Synonyms: |
3-{[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid |
IUPAC Name: | 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid |
Molecular Weight: | 192.17 |
Molecular Formula: | C8H8N4O2 |
Canonical SMILES: | C1=CN2C(=NC(=N2)CCC(=O)O)N=C1 |
InChI: | InChI=1S/C8H8N4O2/c13-7(14)3-2-6-10-8-9-4-1-5-12(8)11-6/h1,4-5H,2-3H2,(H,13,14) |
InChI Key: | TXQZVOROAGZEIO-UHFFFAOYSA-N |
Purity: | 95% |
Density: | 1.6±0.1 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.06472551 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.06472551 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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