AG00377O

57031-66-0 | Methyl 1-methyl-1H-[1,2,4]triazole-3-carboxylate

AG00377O

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CAS Number	57031-66-0
Catalog Number	AG00377O(AGN-PC-02JYOF)
Chemical Name	Methyl 1-methyl-1H-[1,2,4]triazole-3-carboxylate
IUPAC Name	methyl 1-methyl-1,2,4-triazole-3-carboxylate
InChI	InChI=1S/C5H7N3O2/c1-8-3-6-4(7-8)5(9)10-2/h3H,1-2H3
InChI Key	NKPPQSVPTZHGMA-UHFFFAOYSA-N
MDL Number	MFCD13191558
Molecular Formula	C5H7N3O2
Molecular Weight	141.1280
SMILES	CN1N=C(N=C1)C(=O)OC
Synonyms	57031-66-0, Methyl 1-methyl-1H-[1,2,4]triazole-3-carboxylate, 1-Methyl-1H-[1,2,4]triazole-3-carboxylic acid methyl ester, METHYL 1-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLATE, methyl 1-methyl-1,2,4-triazole-3-carboxylate, SCHEMBL1431400, CTK8B6027, KS-00000OFF, DTXSID50599833, NKPPQSVPTZHGMA-UHFFFAOYSA-N, ALBB-032089, BCP05629, ANW-52119, MFCD13191558, ZINC39087336, AKOS015851343, CS-W019187, GS-4473, LS20102, PB21294, AJ-98144, BR-42049, CJ-19736, SC-82059, AB0025572, DB-072235, TR-019949, 4CH-010154, FT-0698616, ST24030859, W7057, S-6079, 1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methy, 1-Methyl-1H-1,2,4-triazole-3-carboxylic acid methyl ester, C5H7N3O2, ACN-038585, 1H-1,2,4-Triazole-3-carboxylic acid, 1-methyl-, methyl ester,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	141.054g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	141.13g/mol
Monoisotopic Mass	141.054g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

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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