AG0022AE

180741-44-0 | (5-Methyl-1H-pyrazol-1-yl)acetic acid

AG0022AE

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CAS Number	180741-44-0
Catalog Number	AG0022AE(AGN-PC-0LW84G)
Chemical Name	(5-Methyl-1H-pyrazol-1-yl)acetic acid
IUPAC Name	2-(5-methylpyrazol-1-yl)acetic acid
InChI	InChI=1S/C6H8N2O2/c1-5-2-3-7-8(5)4-6(9)10/h2-3H,4H2,1H3,(H,9,10)
InChI Key	ZRXVSPAUYVSVNR-UHFFFAOYSA-N
MDL Number	MFCD03419599
Molecular Formula	C6H8N2O2
Molecular Weight	140.1399
SMILES	CC1N(CC(O)=O)N=CC=1
Synonyms	180741-44-0, (5-methyl-1H-pyrazol-1-yl)acetic acid, 2-(5-Methyl-1H-Pyrazol-1-Yl)Acetic Acid, (5-Methyl-pyrazol-1-yl)-acetic acid, 2-(5-methylpyrazol-1-yl)acetic Acid, 1H-Pyrazole-1-acetic acid, 5-methyl-, (5-methylpyrazol-1-yl)acetic acid, 2-(5-methylpyrazolyl)acetic acid, AC1Q2NYI, SCHEMBL2175235, CTK0H1206, DTXSID50426993, ZRXVSPAUYVSVNR-UHFFFAOYSA-N, ALBB-004637, ZINC2549475, 6059AD, BBL016057, MFCD03419599, SBB020425, STK313225, 1H-Pyrazole-1-aceticacid, 5-methyl-, AKOS000308213, AB14505, MCULE-7437911151, RTR-008294, AJ-39586, AB0154541, DB-065331, TR-008294, FT-0679035, ST45092431, EN300-83558, Y-0382, I04-4589, F2169-1102, C6H8N2O2, CID7018400,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code

Certificate of Analysis

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