AG003HVN

55240-51-2 | 2-Phenylisonicotinic acid

AG003HVN

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CAS Number	55240-51-2
Catalog Number	AG003HVN(AGN-PC-0KKP44)
Chemical Name	2-Phenylisonicotinic acid
IUPAC Name	2-phenylpyridine-4-carboxylic acid
InChI	InChI=1S/C12H9NO2/c14-12(15)10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-8H,(H,14,15)
InChI Key	OMMKWOVBOKXXQU-UHFFFAOYSA-N
MDL Number	MFCD03086008
Molecular Formula	C12H9NO2
Molecular Weight	199.2054
SMILES	O=C(O)C1=CC=NC(C2=CC=CC=C2)=C1
Synonyms	2-Phenylisonicotinic acid, 55240-51-2, 2-phenylpyridine-4-carboxylic Acid, 4-Pyridinecarboxylic acid, 2-phenyl-, 2-(Phenyl)-isonicotinic acid, 2-Phenyl-4-pyridinecarboxylic acid, ACMC-209llr, 2-PhenylisonicotinicAcid, AC1MC7FG, 2-phenyl-isonicotinic acid, SCHEMBL648273, CTK1G9050, KS-00000CXY, DTXSID50376505, OMMKWOVBOKXXQU-UHFFFAOYSA-N, ALBB-019460, ZINC2506115, 4-Pyridinecarboxylicacid, 2-phenyl-, ANW-32269, MFCD03086008, SBB052864, AKOS004911929, CCG-139870, MCULE-2481057359, PS-4415, AJ-36100, AK-91665, SY028466, ST2417161, TC-121014, FT-0763372, V6577, MFCD03086008 (97%), A-2812, C12H9NO2, 2-PHENYL-ISONICOTINICACID, CID2762845,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.063g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	199.209g/mol
Monoisotopic Mass	199.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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