AG006BTA

956722-93-3 | 2-(1H-Pyrazol-1-yl)propanoic acid

AG006BTA

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CAS Number	956722-93-3
Catalog Number	AG006BTA(AGN-PC-0WAJCA)
Chemical Name	2-(1H-Pyrazol-1-yl)propanoic acid
IUPAC Name	2-pyrazol-1-ylpropanoic acid
InChI	InChI=1S/C6H8N2O2/c1-5(6(9)10)8-4-2-3-7-8/h2-5H,1H3,(H,9,10)
InChI Key	BIFKSWDIQROCGX-UHFFFAOYSA-N
MDL Number	MFCD08701066
Molecular Formula	C6H8N2O2
Molecular Weight	140.1399
SMILES	N1(C=CC=N1)C(C)C(O)=O
Synonyms	2-(1H-pyrazol-1-yl)propanoic acid, 956722-93-3, 2-pyrazolylpropanoic acid, AC1Q2BED, (pyrazol-1-yl)propionic acid, 2-pyrazol-1-ylpropanoic acid, ARONIS27083, SCHEMBL4663219, 2-(pyrazol-1-yl)propanoic acid, CTK5H7939, DTXSID00588595, ALBB-013880, KS-000048KR, 4391AF, MFCD08701066, SBB024832, STK351778, AKOS000147084, AKOS016345059, MCULE-3691423772, DA-00243, 1H-pyrazole-1-acetic acid, alpha-methyl-, RT-006952, FT-0683787, ST45128074, EN300-30889, Y-4659, I04-3420, F2147-1716, 2- propanoicacid, C6H8N2O2,

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	1
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number