AG001EC3

14678-95-6 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-methoxyphenyl)-

AG001EC3

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CAS Number	14678-95-6
Catalog Number	AG001EC3(AGN-PC-0KWWXC)
Chemical Name	1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-methoxyphenyl)-
IUPAC Name	5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
InChI	InChI=1S/C11H11N3O3/c1-17-8-4-2-7(3-5-8)14-10(12)9(6-13-14)11(15)16/h2-6H,12H2,1H3,(H,15,16)
InChI Key	XOMCPZHFKFCRLB-UHFFFAOYSA-N
MDL Number	MFCD00973939
Molecular Formula	C11H11N3O3
Molecular Weight	233.2233
SMILES	O=C(C1=C(N)N(C2=CC=C(OC)C=C2)N=C1)O
Synonyms	5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid, 14678-95-6, 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic Acid, 5-Amino-1-(4-methoxyphenyl)-1H-pyraxole-4-carboxylic acid, XOMCPZHFKFCRLB-UHFFFAOYSA-N, AC1MSLRH, SCHEMBL3296237, CTK0H1929, DTXSID80393907, BB_SC-09118, KS-00001ND1, ANW-48495, BBL029107, MFCD00973939, STK937327, ZINC37250132, AKOS005666954, IMED1272230995, MCULE-1804085040, RP28067, AK-33328, BR-33328, AX8102025, BC4229898, ST2406051, TC-137240, FT-0737221, W3204, S-2129, 678A956, A808553, J-008263, J-516641, I14-11852, 5-amino-1-(4-methoxyphenyl)-4-pyrazolecarboxylic acid, 5-azanyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid, 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-methoxyphenyl)-, 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(4-methoxyphenyl)-, 5-Amino-1-(4-methoxy-phenyl)-1H-pyrazole-4-carboxylic acid, 5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid, 97%, C11H11N3O3, CID3586349, 5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylicacid,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.08g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	233.227g/mol
Monoisotopic Mass	233.08g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	90.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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