AG00557W

77177-12-9 | (1-Methyl-1H-1,2,3-triazol-5-yl)methanol

AG00557W

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CAS Number	77177-12-9
Catalog Number	AG00557W(AGN-PC-0NJRU5)
Chemical Name	(1-Methyl-1H-1,2,3-triazol-5-yl)methanol
IUPAC Name	(3-methyltriazol-4-yl)methanol
InChI	InChI=1S/C4H7N3O/c1-7-4(3-8)2-5-6-7/h2,8H,3H2,1H3
InChI Key	DLLDJWMWMVUIDZ-UHFFFAOYSA-N
MDL Number	MFCD19273577
Molecular Formula	C4H7N3O
Molecular Weight	113.1179
SMILES	CN1C(CO)=CN=N1
Synonyms	77177-12-9, (1-Methyl-1H-1,2,3-triazol-5-yl)methanol, 1-methyl-5-hydroxymethyl-1,2,3-triazole, 1H-1,2,3-TRIAZOLE-5-METHANOL, 1-METHYL-, 1-methyl-1H-1,2,3-Triazole-5-methanol, SCHEMBL2646281, CTK5E3985, DTXSID90505832, MFCD19273577, ZINC39259542, AKOS022445936, AS-43662, DA-03453, FT-0716145, Z2096663503,

Complexity	77.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	113.059g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	113.12g/mol
Monoisotopic Mass	113.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

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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