AG00B5IF

16681-69-9 | 1-Methyl-1H-1,2,3-triazole-4-carbaldehyde

AG00B5IF

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CAS Number	16681-69-9
Catalog Number	AG00B5IF(AGN-PC-0010ZB)
Chemical Name	1-Methyl-1H-1,2,3-triazole-4-carbaldehyde
IUPAC Name	1-methyltriazole-4-carbaldehyde
InChI	InChI=1S/C4H5N3O/c1-7-2-4(3-8)5-6-7/h2-3H,1H3
InChI Key	FRJSHBUKQSGJNG-UHFFFAOYSA-N
MDL Number	MFCD10696345
Molecular Formula	C4H5N3O
Molecular Weight	111.1020
SMILES	O=CC1=CN(C)N=N1
Synonyms	1-methyl-1H-1,2,3-triazole-4-carbaldehyde, 16681-69-9, 1-METHYL-1H-1,2,3-TRIAZOLE-4-CARBOXALDEHYDE, SCHEMBL1130149, FRJSHBUKQSGJNG-UHFFFAOYSA-N, MFCD10696345, ZINC20443596, AKOS006237172, AB57105, NE36900, 1-methyl-1,2,3-triazole-4-carbaldehyde, AJ-77684, BS-12938, DA-09503, 1-Methyl-1,2,3-triazol-4-carboxaldehyde, FT-0709197, EN300-65210, 1-methyl-1H-[1,2,3]triazole-4-carbaldehyde, F8881-3683,

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

Certificate of Analysis

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