AG00BDM1

27069-16-5 | 5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid

AG00BDM1

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CAS Number	27069-16-5
Catalog Number	AG00BDM1(AGN-PC-0O8H6S)
Chemical Name	5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid
IUPAC Name	3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
InChI	InChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)
InChI Key	VHWPBROOEIJLIW-UHFFFAOYSA-N
MDL Number	MFCD03716564
Molecular Formula	C11H10N2O3
Molecular Weight	218.2087
SMILES	COC1=CC=C(C=C1)C1=CC(=NN1)C(=O)O
Synonyms	5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid, 27069-16-5, 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid, CHEMBL1532040, 5-(4-methoxyphenyl)-2H-pyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylicacid, 5-(4-methoxyphenyl)-, 5-(4-Methoxy-phenyl)-1H-pyrazole-3-carboxylic acid, AK-17517, MLS-0091962.0001, 890006-68-5, 5-(4-Methoxy-phenyl)-2H-pyrazole-3-carboxylic acid, MFCD03716564, AC1LLKBX, BAS 06804319, SCHEMBL1413939, SCHEMBL14152359, BDBM45777, cid_1085887, CTK1A1583, CTK7A3142, KS-00001NGG, TOS-BB-0268, VHWPBROOEIJLIW-UHFFFAOYSA-N, ALBB-006557, KS-00000EZ2, ZINC3882498, ZX-CM017298, ANW-51012, BBL008305, BDBM50096128, HTS000455, KM2793, RW2315, SBB006940, STK299947, AKOS000147051, AKOS000264928, AB15826, BS-4260, CS-W022248, DS-0120, GL-0449, MCULE-3575361861, RP27114, 5-p-methoxy-phenyl-3-pyrazolecarboxylic, AJ-46677, BR-17517, AB0023869, AX8101050, BB0258868, DB-001927, ST2411663, ST4133992, TR-012216, AM20060584, BB 0217969, BB 0258868, FT-0688914, W5020, EN300-83622, VU0607276-1, 3-(4-methoxyphenyl)pyrazole-5-carboxylic acid, 5-(4-methoxyphenyl)pyrazole-3-carboxylic acid, S-4096, SR-01000325126, 1H-Pyrazole-3-carboxylicacid,5-(4-methoxyphenyl)-, I04-9611, J-016668, J-516255, SR-01000325126-1, 5-(4-methoxy-phenyl)-2 h-pyrazole-3-carboxylic acid, BRD-K65870873-001-01-5, Z57044182, F3250-0569, 3-(4-Methoxyphenyl)-1H-pyrazole-5-carboxylic acid, 97%, 5-(4-METHOXY-PHENYL)-2H-PYRAZOLE-3-CARBOXYLICACID, 5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid, AldrichCPR, C11H10N2O3, CID1085887, 5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylicacid, 5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid, 97% - 1G 1g,

Complexity	252
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	2
Isotope Atom Count	0
Molecular Weight	218.212g/mol
Monoisotopic Mass	218.069g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	75.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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