AG006Z1A

222986-51-8 | 4-(6-Amino-3-pyridinyl)benzoic acid

AG006Z1A

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CAS Number	222986-51-8
Catalog Number	AG006Z1A(AGN-PC-03TNZI)
Chemical Name	4-(6-Amino-3-pyridinyl)benzoic acid
IUPAC Name	4-(6-aminopyridin-3-yl)benzoic acid
InChI	InChI=1S/C12H10N2O2/c13-11-6-5-10(7-14-11)8-1-3-9(4-2-8)12(15)16/h1-7H,(H2,13,14)(H,15,16)
InChI Key	DAAPYOWCDXFHOC-UHFFFAOYSA-N
MDL Number	MFCD06801984
Molecular Formula	C12H10N2O2
Molecular Weight	214.2200
SMILES	O=C(O)C1=CC=C(C2=CC=C(N)N=C2)C=C1
Synonyms	4-(6-Aminopyridin-3-yl)benzoic acid, 222986-51-8, 4-(6-Amino-3-pyridinyl)benzoic acid, 4-(2-aminopyridin-5-yl)benzoic acid, AK-78078, MFCD06801984, ACMC-209fuq, SCHEMBL5542937, CTK4E9143, DTXSID20627672, DAAPYOWCDXFHOC-UHFFFAOYSA-N, 4(2-aminopyridin-5-yl)benzoic acid, ANW-24816, ZINC16946117, AKOS004117455, AJ-69674, DS-17278, AX8222080, ST2405402, TX-013119, 4CH-016830, BB 0222982, V4480, C12H10N2O2,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.074g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	214.224g/mol
Monoisotopic Mass	214.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	76.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number