(3-Phenyl-5-Isoxazol)methanol - CAS 90924-12-2

Catalog:	BB053770
Product Name:	(3-Phenyl-5-Isoxazol)methanol
CAS:	90924-12-2
Synonyms:	(3-Phenyl-5-isoxazolyl)methanol; (3-Phenylisoxazol-5-yl)methanol

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(3-phenyl-1,2-oxazol-5-yl)methanol
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	C1=CC=C(C=C1)C2=NOC(=C2)CO
InChI:	InChI=1S/C10H9NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-6,12H,7H2
InChI Key:	CITYOBPAADIHAD-UHFFFAOYSA-N
Boiling Point:	362.8±27.0 °C at 760 mmHg
Purity:	97%
Density:	1.2±0.1 g/cm3
Appearance:	White Solid

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Related Functional Groups

Isoxazoles

[883541-40-0]
3-(3-Fluorophenyl)isoxazole-5-carboxylic acid
[473253-40-6]
3-(4-Methoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid
[618383-47-4]
3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid
[903131-45-3]
5-(Boc-aminomethyl)-3-bromoisoxazole
[326829-08-7]
3-Chloro-5,5-dimethyl-4,5-dihydroisoxazole
[126085-91-4]
Ethyl-5-(tributylstannyl)isoxazole-3-carboxylate

Oxygen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde
[861434-97-1]
3-(2-Chloro-6-methylphenoxy)-5-nitroaniline

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.06332853
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.06332853
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2