AG001RUU

16034-48-3 | 1H-Pyrazole-1-acetic acid

AG001RUU

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CAS Number	16034-48-3
Catalog Number	AG001RUU(AGN-PC-0KZ31A)
Chemical Name	1H-Pyrazole-1-acetic acid
IUPAC Name	2-pyrazol-1-ylacetic acid
InChI	InChI=1S/C5H6N2O2/c8-5(9)4-7-3-1-2-6-7/h1-3H,4H2,(H,8,9)
InChI Key	LOSKNFQZTWYZHI-UHFFFAOYSA-N
MDL Number	MFCD00228774
Molecular Formula	C5H6N2O2
Molecular Weight	126.1133
SMILES	O=C(O)CN1N=CC=C1
Synonyms	2-(1H-Pyrazol-1-Yl)Acetic Acid, 16034-48-3, 1H-pyrazol-1-ylacetic acid, 1-Pyrazoleacetic Acid, 1H-Pyrazole-1-acetic acid, Pyrazol-1-yl-acetic acid, pyrazol-1-ylacetic acid, 1H-Pyrazole-1-aceticacid, 1H-Pyrazol-1-yl acetic acid, 2-pyrazolylacetic acid, BAS 10142519, ACMC-209dky, AC1MW2OX, 2-pyrazol-1-ylacetic acid, (Pyrazol-1-yl)acetic acid, AC1Q75UN, AC1Q75UO, KSC172A1F, ARONIS27221, 2-(1-pyrazolyl)-acetic acid, SCHEMBL1073206, CTK0H2012, KS-00000ZFX, DTXSID60395444, LOSKNFQZTWYZHI-UHFFFAOYSA-N, HMS1759M05, ALBB-000001, ZINC3132236, 2-(1H-Pyrazol-1-yl) acetic acid, ANW-21872, BBL008568, CL3510, MFCD00228774, SBB010248, STK346008, AKOS000263940, CS-W002537, MCULE-7124185827, RP19685, VZ23063, KS-000048P8, 1H-Pyrazol-1-ylacetic acid, AldrichCPR, AJ-44556, AK-47908, BC620120, BR-47908, BS-13019, ST095305, SY022023, AB0022586, ST2403797, TR-006808, 4CH-000692, AM20080433, BB 0258606, FT-0677878, W3481, EN300-23942, MFCD00228774 (95%), B-2582, 034P483, I04-1700, J-505359, F2124-0632, Z169511956, C5H6N2O2, CID3717462,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.043g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	126.115g/mol
Monoisotopic Mass	126.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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