5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid - CAS 10313-27-6
Catalog: |
BB052984 |
Product Name: |
5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid |
CAS: |
10313-27-6 |
Synonyms: |
5-phenyl-4,5-dihydroisoxazole-3-carboxylic acid; 3-Isoxazolecarboxylic acid, 4,5-dihydro-5-phenyl-; 5-phenyl-2-isoxazoline-3-carboxylic acid |
IUPAC Name: | 5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid |
Molecular Weight: | 191.18 |
Molecular Formula: | C10H9NO3 |
Canonical SMILES: | C1C(ON=C1C(=O)O)C2=CC=CC=C2 |
InChI: | InChI=1S/C10H9NO3/c12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,12,13) |
InChI Key: | VRODIKIAQUNGJI-UHFFFAOYSA-N |
Boiling Point: | 355.7±45.0 °C at 760 mmHg |
Density: | 1.3±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: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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