AG000P3I

1190305-94-2 | 4-Amino-1-(4-methoxyphenyl)-1H-pyrazole-3-carboxylic acid

AG000P3I

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CAS Number	1190305-94-2
Catalog Number	AG000P3I(AGN-PC-0WAMFV)
Chemical Name	4-Amino-1-(4-methoxyphenyl)-1H-pyrazole-3-carboxylic acid
IUPAC Name	4-amino-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid
InChI	InChI=1S/C11H11N3O3/c1-17-8-4-2-7(3-5-8)14-6-9(12)10(13-14)11(15)16/h2-6H,12H2,1H3,(H,15,16)
InChI Key	HYVQKYMBTLXQNX-UHFFFAOYSA-N
MDL Number	MFCD28977481
Molecular Formula	C11H11N3O3
Molecular Weight	233.2233
SMILES	O=C(C1=NN(C2=CC=C(OC)C=C2)C=C1N)O
Synonyms	4-Amino-1-(4-methoxyphenyl)-1H-pyrazole-3-carboxylic acid, 1190305-94-2, KS-00000TCR, MFCD28977481, AKOS026674069, ZINC142309768, DS-9952, AK198885, 1H-Pyrazole-3-carboxylic acid, 4-amino-1-(4-methoxyphenyl)-,

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	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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