AG003JKL

35166-33-7 | 3-Hydroxymethyl-5-Methylisoxazole

AG003JKL

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CAS Number	35166-33-7
Catalog Number	AG003JKL(AGN-PC-0KK7WZ)
Chemical Name	3-Hydroxymethyl-5-Methylisoxazole
IUPAC Name	(5-methyl-1,2-oxazol-3-yl)methanol
InChI	InChI=1S/C5H7NO2/c1-4-2-5(3-7)6-8-4/h2,7H,3H2,1H3
InChI Key	MDYHWQQHEWDJKR-UHFFFAOYSA-N
MDL Number	MFCD00085129
Molecular Formula	C5H7NO2
Molecular Weight	113.1146
SMILES	CC1=CC(CO)=NO1
Synonyms	35166-33-7, (5-methylisoxazol-3-yl)methanol, 3-Hydroxymethyl-5-methylisoxazole, (5-methyl-1,2-oxazol-3-yl)methanol, 5-methyl-3-isoxazolemethanol, (5-methyl-isoxazol-3-yl)-methanol, 5-methylisoxazole-3-methanol, (5-methyl-3-isoxazolyl)methanol, (5-methyl-isoxazol-3-yl)methanol, 3-Isoxazolemethanol, 5-methyl-, 3-(hydroxymethyl)-5-methylisoxazole, MFCD00085129, 5-Methylisoxazol-3-methanol, PubChem8686, AC1MC5VF, AC1Q2IOO, KSC222C9F, SCHEMBL357108, AMOT0336, CTK1C2192, DTXSID80371447, MDYHWQQHEWDJKR-UHFFFAOYSA-N, ZINC158682, 3-hydroxymethyl -5-methylisoxazole, ACT07579, BCP26585, STR09386, ANW-47238, BBL104340, SBB025974, STK352901, TD8128, (5-methylisoxazol-3-yl)methan-1-ol, AKOS003673261, AM85740, CM-1524, CS-W013653, MCULE-6278663170, NG-0409, RP00581, VO10046, TRA-0179611, AC-24551, AJ-15305, AN-16291, BP-10929, BR-29211, CJ-01807, EN002372, SC-03754, ZB007021, AB0001919, DB-013184, ST2405100, TC-062980, A6177, FT-0604829, W5683, S-3719, 166M337, J-501602, F2161-0039, C5H7NO2, ZINC00158682, ACN-029065, CID2736567, (5-Methylisoxazol-3-yl)methanol, 97% - 1G 1g,

Complexity	76.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	113.048g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	113.116g/mol
Monoisotopic Mass	113.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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