AG000MSQ

1248548-23-3 | 1H-Pyrazole-4-acetic acid, 1-methyl-, methyl ester

AG000MSQ

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CAS Number	1248548-23-3
Catalog Number	AG000MSQ(AGN-PC-0H69J4)
Chemical Name	1H-Pyrazole-4-acetic acid, 1-methyl-, methyl ester
IUPAC Name	methyl 2-(1-methylpyrazol-4-yl)acetate
InChI	InChI=1S/C7H10N2O2/c1-9-5-6(4-8-9)3-7(10)11-2/h4-5H,3H2,1-2H3
InChI Key	GQPDBLNFHVXFRN-UHFFFAOYSA-N
MDL Number	MFCD17267695
Molecular Formula	C7H10N2O2
Molecular Weight	154.1665
SMILES	COC(=O)CC1=CN(C)N=C1
Synonyms	Methyl 2-(1-methyl-1H-pyrazol-4-yl)acetate, 1248548-23-3, SCHEMBL877044, CTK8C1835, DTXSID40735844, GQPDBLNFHVXFRN-UHFFFAOYSA-N, 4718AA, ANW-67338, MFCD17267695, ZINC57348315, AKOS016006754, KS-0000086I, methyl 2-(1-methylpyrazol-4-yl)acetate, AS-53237, AJ-112877, Methyl (1-methyl-1H-pyrazol-4-yl)acetate, TC-156083, CS-0049217, Methyl 2-(1-methyl-1H-pyrazol-4-yl);acetate, (1-methyl-1H-pyrazol-4-yl)-acetic acid methyl ester, 1H-Pyrazole-4-acetic acid, 1-methyl-, methyl ester, C7H10N2O2, Methyl2-(1-methyl-1H-pyrazol-4-yl)acetate, 1H-pyrazole-4-acetic acid, 1-methyl methyl ester,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.074g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	154.169g/mol
Monoisotopic Mass	154.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

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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