AG000N05

1250278-88-6 | Methyl 2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)acetate

AG000N05

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CAS Number	1250278-88-6
Catalog Number	AG000N05(AGN-PC-0WANHM)
Chemical Name	Methyl 2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)acetate
IUPAC Name	methyl 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetate
InChI	InChI=1S/C7H11N3O2/c1-5-8-6(2)10(9-5)4-7(11)12-3/h4H2,1-3H3
InChI Key	ZGSQCSZBQPRGPY-UHFFFAOYSA-N
MDL Number	MFCD14619296
Molecular Formula	C7H11N3O2
Molecular Weight	169.1811
SMILES	COC(=O)CN1N=C(C)N=C1C
Synonyms	Methyl 2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)acetate, 1250278-88-6, SCHEMBL14549322, MFCD14619296, ZINC41042366, AKOS009266229, CS-W007185, DS-8854, AK164979, ST24047609, 1H-1,2,4-Triazole-1-acetic acid, 3,5-dimethyl-, methyl ester,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.085g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	169.184g/mol
Monoisotopic Mass	169.085g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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