AG00D869

52565-56-7 | 4-Phenylpicolinic acid

AG00D869

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CAS Number	52565-56-7
Catalog Number	AG00D869(AGN-PC-0KKP42)
Chemical Name	4-Phenylpicolinic acid
IUPAC Name	4-phenylpyridine-2-carboxylic acid
InChI	InChI=1S/C12H9NO2/c14-12(15)11-8-10(6-7-13-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)
InChI Key	VSKRUAKMKGOMBG-UHFFFAOYSA-N
MDL Number	MFCD04114164
Molecular Formula	C12H9NO2
Molecular Weight	199.2054
SMILES	O=C(O)C1=NC=CC(C2=CC=CC=C2)=C1
Synonyms	4-phenylpyridine-2-carboxylic Acid, 52565-56-7, 4-Phenylpicolinic acid, 4-Phenyl-2-pyridinecarboxylic acid, AC1MC7FC, SCHEMBL725162, ACMC-209l08, CTK1G9276, KS-00003KRC, DTXSID90376504, ZINC2599004, 2-Pyridinecarboxylicacid, 4-phenyl-, ANW-31494, MFCD04114164, RW1240, SBB052948, 2-Pyridinecarboxylic acid, 4-phenyl-, AKOS005146143, FS-2588, RP25684, AJ-43824, AN-40959, BC651295, SC-21806, DB-006897, TC-061582, FT-0080606, FT-0650909, V6391, A829148, J-515953, C12H9NO2, CID2762843, 4-PHENYLPYRIDINE-2-CARBOXYLICACID,

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	H301
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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