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5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid

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

Technical Data

Safety and Hazards

Computed Properties

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

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Oxazolines/Oxazolidines

[22876-17-1]
6-Amino-2-benzoxazolinone
[25664-78-2]
5-Ethyl-2-oxazolidinone
[81135-31-1]
(4S,5R,1'R,3'E)-2,2,3-trimethyl-5-(1'-methyl-3'-pentenyl)-4-oxazolidinecarboxylic acid
[21892-80-8]
3-Methyl-2-benzoxazolinone
[158822-84-5]
6-Benzyloxy-2-benzoxazolinone
[1172266-75-9]
3-(1,3,5-Trimethyl-1H-pyrazol-4-yl)isoxazol-5-amine

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