AG005ACH

75754-04-0 | 5-Phenylpicolinic acid

AG005ACH

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CAS Number	75754-04-0
Catalog Number	AG005ACH(AGN-PC-0KKP4S)
Chemical Name	5-Phenylpicolinic acid
IUPAC Name	5-phenylpyridine-2-carboxylic acid
InChI	InChI=1S/C12H9NO2/c14-12(15)11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)
InChI Key	CNCJXSKAKGXNKJ-UHFFFAOYSA-N
MDL Number	MFCD04114189
Molecular Formula	C12H9NO2
Molecular Weight	199.2054
SMILES	O=C(O)C1=NC=C(C2=CC=CC=C2)C=C1
Synonyms	5-Phenylpicolinic acid, 5-phenylpyridine-2-carboxylic Acid, 75754-04-0, 5-phenyl-2-pyridinecarboxylic acid, 2-Pyridinecarboxylic acid, 5-phenyl-, PubChem22107, 5-Phenyl-picolinic acid, AC1MC7GU, ACMC-1BB5A, 2-Carboxy-5-phenylpyridine, 3-Phenyl-6-carboxypyridine, SCHEMBL71034, CHEMBL1801808, CTK2H6979, KS-00002AGC, DTXSID70376527, CNCJXSKAKGXNKJ-UHFFFAOYSA-N, ZINC2599021, 5-phenyl-pyridine-2-carboxylic acid, 2-Pyridinecarboxylicacid, 5-phenyl-, ANW-36665, MFCD04114189, SBB092444, AKOS012257286, CS-W000561, PS-5576, RL04888, VP14818, AJ-43832, SC-35464, DB-008476, TX-017243, 4CH-005077, FT-0766242, ST24029553, V7627, 5-PHENYLPICOLINICACID, C12H9NO2, CID2762870,

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	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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