AG008TNU

118054-57-2 | 1H-Pyrazole-3-acetic acid, HCl

AG008TNU

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CAS Number	118054-57-2
Catalog Number	AG008TNU(AGN-PC-0PBE0Z)
Chemical Name	1H-Pyrazole-3-acetic acid, HCl
IUPAC Name	2-(1H-pyrazol-5-yl)acetic acid;hydrochloride
InChI	InChI=1S/C5H6N2O2.ClH/c8-5(9)3-4-1-2-6-7-4;/h1-2H,3H2,(H,6,7)(H,8,9);1H
InChI Key	FQUYXVPCCKSSLU-UHFFFAOYSA-N
MDL Number	MFCD22201145
Molecular Formula	C5H7ClN2O2
Molecular Weight	162.5743
SMILES	O=C(O)CC1=NNC=C1.[H]Cl
Synonyms	118054-57-2, 2-(1H-Pyrazol-3-yl)acetic acid hydrochloride, 2-(1H-pyrazol-5-yl)acetic acid hydrochloride, 1H-PYRAZOLE-3-ACETIC ACID, HCL, (1H-Pyrazol-3-yl)-acetic acid hydrochloride, Pyrazole-5-acetic Acid Hydrochloride, 1h-pyrazole-3-acetic acid, hydrochloride, 1H-Pyrazole-3-acetic acid, monohydrochloride, AC1Q3EZA, (1H-pyrazol-3-yl)acetic acid hydrochloride, C5H6N2O2.HCl, SCHEMBL8498181, CTK8E3321, KS-00000QXP, pyrazolylacetic acid hydrochloride, DTXSID50542642, CS-D0036, 1007AJ, MFCD22201145, AKOS016353054, AKOS016353055, ACN-045340, DS-7741, MCULE-7841552779, NE16245, SB12475, AK153425, DA-47554, SC-19655, SY045525, AB0081541, TX-012836, FT-0768336, ST24039086, EN300-71405, MFCD17977140 (95%), X-3386, (1H-Pyrazol-5-yl)acetic acid--hydrogen chloride (1/1), Z1171978793,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.02g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	162.573g/mol
Monoisotopic Mass	162.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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