AG008LLF

797027-83-9 | 2H-Pyrazole-3-carboxylic acid

AG008LLF

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CAS Number	797027-83-9
Catalog Number	AG008LLF(AGN-PC-0WAG6N)
Chemical Name	2H-Pyrazole-3-carboxylic acid
IUPAC Name	1H-pyrazole-5-carboxylic acid
InChI	InChI=1S/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8)
InChI Key	KOPFEFZSAMLEHK-UHFFFAOYSA-N
MDL Number	MFCD00464252
Molecular Formula	C4H4N2O2
Molecular Weight	112.0868
SMILES	O=C(C1=CC=NN1)O
Synonyms	1H-Pyrazole-3-carboxylic acid, 1621-91-6, Pyrazole-3-carboxylic acid, 1H-Pyrazole-5-carboxylic acid, 2H-PYRAZOLE-3-CARBOXYLIC ACID, 5-Pyrazolecarboxylic acid, 797027-83-9, 3-Pyrazolecarboxylic acid, 3-carboxy-1h-pyrazole, Pyrazolic acid, CHEMBL128679, KOPFEFZSAMLEHK-UHFFFAOYSA-N, MFCD00077436, EC-000.1960, pyrazolecarboxylic, 3-Carboxypyrazole, 2H-PYRAZOLE-3-CARBOXYLICACID, zlchem 656, pyrazole-5-carboxylic, pyrazolecarboxylic acid, PubChem12935, AC1LCCJ7, AC1Q5UBI, 3-pyrazole carboxylic acid, pyrazole 3-carboxylic acid, ACMC-209z0p, Pyrazole-5-carboxylic acid, SCHEMBL7790, KSC174G4J, MLS001048880, 1H-pyrazol-3-carboxylic acid, 2H-Pyrazole-5-carboxylic acid, TPC-I149, Jsp003249, 1-H-pyrazole-3-carboxylic acid, 3-Pyrazolecarboxylic acid, 97%, CTK0H4344, CTK5E7038, ZLD0106, 1H-Pyrazole-5-carboxylic acid #, BH802, HMS2267D14, AC1Q7486, ACN-P000884, ACT05688, ALBB-006075, BCP11490, BCP26785, ZERO/001694, ZINC5324338, 5053AH, ANW-21979, ANW-49655, BBL009183, BDBM50132132, CL3512, CP-371, FC0938, HTS000641, SBB000005, STK257453, 1H-Pyrazole-3-carboxylic acid, 97%, AKOS000189249, AKOS000300717, AB06191, AC-1719, BCP9000066, CM11038, CS-W002328, MCULE-5843831241, PB17100, PS-3789, RP00549, RP19038, RTR-032067, SB10560, TRA0072546, VP20154, KS-000003T3, NCGC00246284-01, AJ-53820, AK-29904, AM804418, AN-14646, AN-27234, BC203654, BR-29904, CS-10742, R345, SC-20998, SC-69621, SMR000387081, ST005603, SY002921, 2H-Pyrazole-3-carboxylic acid, AldrichCPR, AB0018116, AB1001472, DB-005733, ST2408926, TR-032067, 4CH-003649, AK00739678, AM20080446, BB 0219085, FT-0083397, FT-0647740, P1862, EN300-37077, MFCD00077436 (98%), VU0607310-1, C-5615, L-4524, AB00698081-04, AB00698081-05, 621P916, 643P753, S04-0043, S14-2355, W-205899, F3250-0675, Z381357668, InChI=1/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8, null, PYRAZOLATE, 1H-pyrazole-3-carboxylicacid, 5-quinoxalinecarboxylic acid, D0M7DC, quinoxaline-5-carboxylic acid, C4H4N2O2, pyrazole-3(5)-carboxylic acid, AR-1F2422, CID574310, ACN-025907, 1H-Pyrazole-3-carboxylic acid, 97% 1g, C2127, 1H-Pyrazole-3-carboxylic acid, 98% - 1G 1g, 855643-75-3, 162739-39-1,

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.027g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	112.088g/mol
Monoisotopic Mass	112.027g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number