| CAS Number | 887981-96-6 |
| Catalog Number | AG004CT6(AGN-PC-04Q6KR) |
| Chemical Name | 6-(3-Cyanophenyl)picolinic acid |
| IUPAC Name | 6-(3-cyanophenyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C13H8N2O2/c14-8-9-3-1-4-10(7-9)11-5-2-6-12(15-11)13(16)17/h1-7H,(H,16,17) |
| InChI Key | ZCOZAVSZIZHBRG-UHFFFAOYSA-N |
| MDL Number | MFCD06410076 |
| Molecular Formula | C13H8N2O2 |
| Molecular Weight | 224.2148 |
| SMILES | N#Cc1cccc(c1)c1cccc(n1)C(=O)O |
| Synonyms | 6-(3-Cyanophenyl)picolinic acid,
887981-96-6,
6-(3-CYANOPHENYL)PYRIDINE-2-CARBOXYLIC ACID,
SCHEMBL1202970,
ZCOZAVSZIZHBRG-UHFFFAOYSA-N,
MFCD06410076,
ZINC35630154,
AKOS016013799,
AB23999,
AJ-91833,
SY015961,
AX8248220,
DB-021590,
TC-307951,
FT-0761752,
V8726,
MFCD06410076 (95%),
6-(3-cyano-phenyl)-pyridine-2-carboxylic acid,
6-(3-CYANOPHENYL)-2-PYRIDINECARBOXYLIC ACID,
C13H8N2O2,
95-24-9,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.219g/mol |
| Monoisotopic Mass | 224.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number