AG00369U

89102-73-8 | Isoxazol-3-ylmethanol

AG00369U

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CAS Number	89102-73-8
Catalog Number	AG00369U(AGN-PC-00K0SX)
Chemical Name	Isoxazol-3-ylmethanol
IUPAC Name	1,2-oxazol-3-ylmethanol
InChI	InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2
InChI Key	GBCAGXLDCTZCCT-UHFFFAOYSA-N
MDL Number	MFCD07778413
Molecular Formula	C4H5NO2
Molecular Weight	99.0880
SMILES	O1N=C(C=C1)CO
Synonyms	Isoxazol-3-ylmethanol, 3-ISOXAZOLEMETHANOL, 89102-73-8, 1,2-oxazol-3-ylmethanol, 3-Amino-4-thiopyridine, (1,2-Oxazol-3-yl)methanol, Isoxazole-3-methanol, hydroxymethylisoxazole, akos pao-1430, 3-hydroxymethylisoxazole, ACMC-20a2y3, ISOXAZOL-3-YL-METHANOL, 3-Isoxazolemethanol, AldrichCPR, CTK3E7695, DTXSID60512619, GBCAGXLDCTZCCT-UHFFFAOYSA-N, EBD32994, ANW-54745, CI-317, MFCD07778413, ZINC26547719, AKOS003673260, CS-W003938, MCULE-3216265153, PB15902, RP18663, AJ-82605, AK-25087, AN-35261, CJ-17500, SC-12938, AB0066612, DB-006474, ST2419439, TC-143490, 4CH-013681, BB 0261243, FT-0686491, Z5286, EN300-79648, Q-2554, 102I738, I14-8697, J-512737, Z1575082124, C4H5NO2,

Complexity	57.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	99.032g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	99.089g/mol
Monoisotopic Mass	99.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

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

Lot Number