AG00126B

136663-38-2 | 5-Benzoxazolemethanol, 2-methyl-

AG00126B

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CAS Number	136663-38-2
Catalog Number	AG00126B(AGN-PC-0WD1C0)
Chemical Name	5-Benzoxazolemethanol, 2-methyl-
IUPAC Name	(2-methyl-1,3-benzoxazol-5-yl)methanol
InChI	InChI=1S/C9H9NO2/c1-6-10-8-4-7(5-11)2-3-9(8)12-6/h2-4,11H,5H2,1H3
InChI Key	ZVBPKWNJXRJGOR-UHFFFAOYSA-N
MDL Number	MFCD12965126
Molecular Formula	C9H9NO2
Molecular Weight	163.1733
SMILES	OCC1=CC=C(OC(C)=N2)C2=C1
Synonyms	(2-Methylbenzo[d]oxazol-5-yl)methanol, 136663-38-2, 5-Benzoxazolemethanol, 2-methyl-, (2-methyl-1,3-benzoxazol-5-yl)methanol, SCHEMBL17221544, DTXSID40576496, ZVBPKWNJXRJGOR-UHFFFAOYSA-N, 2-Methylbenzo[d]oxazole-5-methanol, 6497AA, MFCD12965126, ZINC34623668, AKOS016000868, FCH1179851, AJ-89841, AK128727, AX8250789, C9H9NO2,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	163.176g/mol
Monoisotopic Mass	163.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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