| CAS Number | 106359-70-0 |
| Catalog Number | AG008VI4(AGN-PC-0KKNQY) |
| Chemical Name | 4-(Naphthalen-2-yl)benzoic acid |
| IUPAC Name | 4-naphthalen-2-ylbenzoic acid |
| InChI | InChI=1S/C17H12O2/c18-17(19)14-8-5-13(6-9-14)16-10-7-12-3-1-2-4-15(12)11-16/h1-11H,(H,18,19) |
| InChI Key | KICDLSXFZOBMEW-UHFFFAOYSA-N |
| MDL Number | MFCD04117443 |
| Molecular Formula | C17H12O2 |
| Molecular Weight | 248.2760 |
| SMILES | O=C(O)C1=CC=C(C2=CC=C3C=CC=CC3=C2)C=C1 |
| Synonyms | 4-Naphthalen-2-yl-benzoic acid,
4-(naphthalen-2-yl)benzoic acid,
106359-70-0,
4-naphthalen-2-ylbenzoic Acid,
Benzoic acid,4-(2-naphthalenyl)-,
ACMC-20e8jk,
AC1MC21F,
4-(2-naphthyl)benzoic acid,
SCHEMBL2036894,
CTK4A4507,
DTXSID00375043,
ZINC2529014,
MFCD04117443,
AKOS005821322,
RT-020507,
CID2760152,
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| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.281g/mol |
| Monoisotopic Mass | 248.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number