AG000BRS

116153-81-2 | 1H-Pyrazole-3-carboxylic acid, 5-(2-furanyl)-

AG000BRS

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CAS Number	116153-81-2
Catalog Number	AG000BRS(AGN-PC-0JUFBH)
Chemical Name	1H-Pyrazole-3-carboxylic acid, 5-(2-furanyl)-
IUPAC Name	5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid
InChI	InChI=1S/C8H6N2O3/c11-8(12)6-4-5(9-10-6)7-2-1-3-13-7/h1-4H,(H,9,10)(H,11,12)
InChI Key	GKPSFQIKCROJOB-UHFFFAOYSA-N
MDL Number	MFCD05170057
Molecular Formula	C8H6N2O3
Molecular Weight	178.1448
SMILES	O=C(C1=NNC(C2=CC=CO2)=C1)O
Synonyms	116153-81-2, 5-(2-furyl)-1H-pyrazole-3-carboxylic acid, 5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid, 5-Furan-2-yl-2H-pyrazole-3-carboxylic acid, 3-(furan-2-yl)-1H-pyrazole-5-carboxylic acid, 3-(2-furyl)-1h-pyrazole-5-carboxylic acid, 1H-Pyrazole-3-carboxylicacid, 5-(2-furanyl)-, 5-(Furan-2-yl)-2H-pyrazole-3-carboxylic acid, GKPSFQIKCROJOB-UHFFFAOYSA-N, MFCD05170057, 890006-97-0, 5-(2-furyl)pyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylic acid, 5-(2-furanyl)-, SMR000010657, ACMC-20f1sn, AC1LCPO7, MLS000074734, SCHEMBL570055, SCHEMBL644425, AC1Q747Y, CHEMBL1502137, CTK0H3505, CTK7I5937, KS-00001NHC, HMS2407L18, ALBB-028102, ZINC4692723, 2157AF, BBL011723, HTS004637, SBB007036, STK346967, AKOS000146846, AKOS000271377, BS-3281, GL-0023, MCULE-9376057090, RP03092, RTR-042195, 3-(2-furyl)pyrazole-5-carboxylic acid, AN-33095, BAS 01543593, AB0039647, DB-010352, TR-042195, 5-(2-furyl)-2H-pyrazole-3-carboxylic acid, BB 0219095, FT-0732800, ST45091582, Y7146, 5-furan-2-yl-2 h-pyrazole-3-carboxylic acid, EN300-30679, C-1612, L-4615, 2H-Pyrazole-3-carboxylic acid, 5-furan-2-yl-, 153F812, SR-01000595326, SR-01000595326-1, W-204893, I14-35457, 5-(2-Furyl)-1H-pyrazole-3-carboxylic acid, AldrichCPR, 5-Furan-2-yl-2H-pyrazole-3-carboxylic acid, AldrichCPR, F0918-7944, F2169-0893, Z317046484, 7O4, C8H6N2O3, CID654018, 5-Fur-2-yl-1H-pyrazole-3-carboxylic acid, 5-(furan-2-yl)-4H-pyrazole-3-carboxylic acid, 5-(2-Furyl)-1H-pyrazole-3-carboxylic acid, 97% - 1G 1g,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	178.147g/mol
Monoisotopic Mass	178.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	79.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

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