3-(3-Methoxyisoxazol-5-yl)propanoic acid - CAS 52898-06-3
Catalog: |
BB043306 |
Product Name: |
3-(3-Methoxyisoxazol-5-yl)propanoic acid |
CAS: |
52898-06-3 |
Synonyms: |
3-(3-Methoxy-5-isoxazolyl)propanoic acid; 3-(3-Methoxy-isoxazol-5-yl)-propionic acid |
IUPAC Name: | 3-(3-methoxy-1,2-oxazol-5-yl)propanoic acid |
Description: | 3-(3-Methoxyisoxazol-5-yl)propanoic acid (CAS# 52898-06-3 ) is a useful research chemical. |
Molecular Weight: | 171.15 |
Molecular Formula: | C7H9NO4 |
Canonical SMILES: | COC1=NOC(=C1)CCC(=O)O |
InChI: | InChI=1S/C7H9NO4/c1-11-6-4-5(12-8-6)2-3-7(9)10/h4H,2-3H2,1H3,(H,9,10) |
InChI Key: | XWBIAAGRBWFOCT-UHFFFAOYSA-N |
Density: | 1.282 g/cm3 |
GHS Hazard Statement: | 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, 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: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.05315777 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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Oxazole/Thiazole
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