AG000GIR

1152582-56-3 | 1H-Pyrazole-4-acetic acid, 1-methyl-

AG000GIR

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CAS Number	1152582-56-3
Catalog Number	AG000GIR(AGN-PC-0WBPXH)
Chemical Name	1H-Pyrazole-4-acetic acid, 1-methyl-
IUPAC Name	2-(1-methylpyrazol-4-yl)acetic acid
InChI	InChI=1S/C6H8N2O2/c1-8-4-5(3-7-8)2-6(9)10/h3-4H,2H2,1H3,(H,9,10)
InChI Key	CVVXBWFAPQPDCQ-UHFFFAOYSA-N
MDL Number	MFCD09925217
Molecular Formula	C6H8N2O2
Molecular Weight	140.1399
SMILES	O=C(O)CC1=CN(C)N=C1
Synonyms	2-(1-methyl-1H-pyrazol-4-yl)acetic acid, 1152582-56-3, MFCD09925217, (1-Methyl-1H-pyrazol-4-yl)-acetic acid, AC1Q3YTL, SCHEMBL4360008, CVVXBWFAPQPDCQ-UHFFFAOYSA-N, ZINC20442159, AKOS009325792, MCULE-8387534193, NE23493, 1H-Pyrazole-4-acetic acid, 1-methyl-, AJ-77633, BS-13267, DB-022580, CS-0055087, EN300-63872, (1-Methyl-1H-pyrazol-4-yl)-acetic acid, AldrichCPR, I14-16084, F8881-1512, Z1101435050,

Complexity	138
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	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

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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