AG003K1B

60875-16-3 | 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid

AG003K1B

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CAS Number	60875-16-3
Catalog Number	AG003K1B(AGN-PC-0JLGO0)
Chemical Name	4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
EC Number	262-509-6
IUPAC Name	4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoic acid
InChI	InChI=1S/C11H10N2O3/c1-7-6-10(14)13(12-7)9-4-2-8(3-5-9)11(15)16/h2-5H,6H2,1H3,(H,15,16)
InChI Key	CUGBBQWDGCXWNB-UHFFFAOYSA-N
MDL Number	MFCD00003135
Molecular Formula	C11H10N2O3
Molecular Weight	218.2087
SMILES	CC1=NN(C(=O)C1)C1=CC=C(C=C1)C(O)=O
Synonyms	4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid, MOPBA, 60875-16-3, 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid, 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid, 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoic acid, Benzoic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, CUGBBQWDGCXWNB-UHFFFAOYSA-N, 4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzoic acid, 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoicacid, 4-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid, 4-(3-methyl-5-oxo-2-pyrazolinyl)benzoic acid, TimTec1_002931, EINECS 262-509-6, AC1Q5URI, 1-(4-Carboxylphenyl)-3-methyl-5-pyrazolone, AC1L35AD, DSSTox_CID_24963, DSSTox_RID_80618, DSSTox_GSID_44963, Oprea1_867127, SCHEMBL643536, CHEMBL378534, DTXSID8044963, CTK5B2387, HMS1542F05, ALBB-019196, Tox21_301816, ANW-58401, BBL001440, KM0443, MFCD00003135, QC-905, SBB000574, STK059563, ZINC18115793, AKOS000112839, CCG-237421, MCULE-9844773826, NCGC00256128-01, AC-18394, AJ-70322, AN-39387, AS-45876, BP-12690, P088, SC-95939, ST041016, AB0016819, AB1001866, CAS-60875-16-3, DB-053728, TC-147146, BB 0221237, FT-0605670, 1-p-carboxyphenyl-3-methyl-2-pyrazolin-5-one, 1-(4-carboxyphenyl)-3-methyl-2-pyrazolin-5-one, p-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid, I14-0941, p-(3-Methyl-5-oxo-2-pyrazolin-1-yl)-benzoic acid, W-105225, Z50147717, 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benz, 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid, >=98%, A2022/0084880, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-benzoic acid, 4-(4,5-dihydro-5-oxo-3-methyl-1H-pyrazol-1-yl)-benzoic acid, 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid #, Benzoic acid,4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, null, UNII-I29T029IWB, I29T029IWB, C11H10N2O3, AR-1F6130, CID109029, C11-H10-N2-O3, 6263-68-9,

Complexity	343
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.069g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	218.212g/mol
Monoisotopic Mass	218.069g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number