AG007FD2

103863-14-5 | 4-Phenylnicotinic acid

AG007FD2

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CAS Number	103863-14-5
Catalog Number	AG007FD2(AGN-PC-0KKP6G)
Chemical Name	4-Phenylnicotinic acid
IUPAC Name	4-phenylpyridine-3-carboxylic acid
InChI	InChI=1S/C12H9NO2/c14-12(15)11-8-13-7-6-10(11)9-4-2-1-3-5-9/h1-8H,(H,14,15)
InChI Key	HMFLWFBUKXQGIJ-UHFFFAOYSA-N
MDL Number	MFCD04114252
Molecular Formula	C12H9NO2
Molecular Weight	199.2054
SMILES	O=C(O)C1=CN=CC=C1C2=CC=CC=C2
Synonyms	4-PHENYLNICOTINIC ACID, 103863-14-5, 4-phenylpyridine-3-carboxylic Acid, PubChem19478, AC1MC7KC, ACMC-20989k, SCHEMBL2222831, CTK0H2504, DTXSID70376587, HMFLWFBUKXQGIJ-UHFFFAOYSA-N, ZINC2599076, 3-Pyridinecarboxylicacid, 4-phenyl-, ANW-14982, MFCD04114252, 3-Pyridinecarboxylic acid, 4-phenyl-, AKOS006293428, VP14742, AJ-43856, AK-91670, AS-50195, AX8099989, DB-059064, ST2405933, TC-103727, 4CH-005186, FT-0755945, Z6696, B-6313, 4-Phenylnicotinicacid, Biphenyl-2-carboxylic acid, C12H9NO2, CID2762933,

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

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

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