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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

Name: 5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

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]C23H22N2O5
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]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

Oxazolines/Oxazolidines

[1432-43-5]C5H7NO3
3-Acetyl-2-oxazolidinone
[1120-64-5]C4H7NO
2-Methyl-2-oxazoline
[95715-86-9]C12H21NO5
3,4-Oxazolidinedicarboxylicacid, 2,2-dimethyl-, 3-(1,1-dimethylethyl) 4-methyl ester, (4R)-
[670254-71-4]C23H27NO6
5-Methyl 3-(2-methyl-2-propanyl) (4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
[10313-27-6]C10H9NO3
5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
[4042-35-7]C4H7NO2
(S)-4-Methyl-2-oxazolidinone

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