| CAS Number | 1800425-09-5 |
| Catalog Number | AG00AM13 |
| Chemical Name | 4,4'-(Pyridine-2,5-diyl)dibenzoic acid |
| IUPAC Name | 4-[6-(4-carboxyphenyl)pyridin-3-yl]benzoic acid |
| InChI | InChI=1S/C19H13NO4/c21-18(22)14-5-1-12(2-6-14)16-9-10-17(20-11-16)13-3-7-15(8-4-13)19(23)24/h1-11H,(H,21,22)(H,23,24) |
| InChI Key | UOAKBLHTDRACTP-UHFFFAOYSA-N |
| MDL Number | MFCD30067498 |
| Molecular Formula | C19H13NO4 |
| Molecular Weight | 319.3108 |
| SMILES | O=C(O)C1=CC=C(C2=NC=C(C3=CC=C(C=C3)C(O)=O)C=C2)C=C1 |
| Synonyms | 4,4'-(Pyridine-2,5-diyl)dibenzoic acid,
1800425-09-5,
30249-86-6,
CTK4G4713,
DTXSID40698182,
Benzoic acid,4-(9-anthracenyl)-,
MFCD30067498,
AKOS030621374,
ZINC199904674,
ACM30249866,
4,4'-(2,5-Pyridinediyl)bisbenzoic acid,
AK668312,
DS-19883,
AX8315416,
2,5-Di pyridine,
|
| Complexity | 450 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.316g/mol |
| Monoisotopic Mass | 319.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number