AG0028KC

202931-88-2 | 3-Methyl-1,2,3-triazole-4-carbaldehyde

AG0028KC

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CAS Number	202931-88-2
Catalog Number	AG0028KC(AGN-PC-037ALG)
Chemical Name	3-Methyl-1,2,3-triazole-4-carbaldehyde
IUPAC Name	3-methyltriazole-4-carbaldehyde
InChI	InChI=1S/C4H5N3O/c1-7-4(3-8)2-5-6-7/h2-3H,1H3
InChI Key	VFAQDMYUCHBIJL-UHFFFAOYSA-N
MDL Number	MFCD10696346
Molecular Formula	C4H5N3O
Molecular Weight	111.1020
SMILES	O=CC1=CN=NN1C
Synonyms	1-Methyl-1H-1,2,3-triazole-5-carbaldehyde, 202931-88-2, 1H-1,2,3-TRIAZOLE-5-CARBOXALDEHYDE, 1-METHYL-, SCHEMBL264093, 1-METHYL-1H-1,2,3-TRIAZOLE-5-CARBOXALDEHYDE, 3-methyltriazole-4-carbaldehyde, CTK4E3815, DTXSID40611215, VFAQDMYUCHBIJL-UHFFFAOYSA-N, MFCD10696346, ZINC20443600, AKOS006303379, AB57107, NE40204, AJ-77685, AK-31402, BS-12956, DA-17121, FT-0766461, 3-METHYL-1,2,3-TRIAZOLE-4-CARBALDEHYDE,

Complexity	95.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	111.043g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	111.104g/mol
Monoisotopic Mass	111.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	47.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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