AG00H3ZR

878678-79-6 | Methyl 2-(1H-pyrazol-3-yl)acetate

AG00H3ZR

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CAS Number	878678-79-6
Catalog Number	AG00H3ZR(AGN-PC-0OLBW2)
Chemical Name	Methyl 2-(1H-pyrazol-3-yl)acetate
IUPAC Name	methyl 2-(1H-pyrazol-5-yl)acetate
InChI	InChI=1S/C6H8N2O2/c1-10-6(9)4-5-2-3-7-8-5/h2-3H,4H2,1H3,(H,7,8)
InChI Key	PBWIWDDODPODHV-UHFFFAOYSA-N
MDL Number	MFCD21645068
Molecular Formula	C6H8N2O2
Molecular Weight	140.1399
SMILES	O=C(OC)CC1=NNC=C1
Synonyms	Methyl 2-(1H-pyrazol-3-yl)acetate, 878678-79-6, methyl 2-(1H-pyrazol-5-yl)acetate, 1H-Pyrazole-3-acetic acid, methyl ester, Methyl 3-pyrazoleacetate, Methyl 2-(3-pyrazolyl)acetate, SCHEMBL4109248, PBWIWDDODPODHV-UHFFFAOYSA-N, AC1Q4412, MFCD21645068, ZINC58037918, AKOS016353166, AKOS023166305, MCULE-6983223647, NE16762, BS-13329, FT-0733607, EN300-71853, Z1258948191, 1H-Pyrazole-3-acetic acid methyl ester,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.059g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	140.142g/mol
Monoisotopic Mass	140.059g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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