| CAS Number | 106359-69-7 |
| Catalog Number | AG007UYT(AGN-PC-0KKNQX) |
| Chemical Name | 4-(Naphthalen-1-yl)benzoic acid |
| IUPAC Name | 4-naphthalen-1-ylbenzoic acid |
| InChI | InChI=1S/C17H12O2/c18-17(19)14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,18,19) |
| InChI Key | JLHKJIKIQYSZAZ-UHFFFAOYSA-N |
| MDL Number | MFCD04117438 |
| Molecular Formula | C17H12O2 |
| Molecular Weight | 248.2760 |
| SMILES | O=C(O)C1=CC=C(C2=C3C=CC=CC3=CC=C2)C=C1 |
| Synonyms | 4-(Naphthalen-1-yl)benzoic acid,
106359-69-7,
4-Naphthalen-1-yl-benzoic acid,
4-naphthalen-1-ylbenzoic Acid,
ACMC-2098je,
AC1MC21C,
4-(1-Naphthyl)benzoic acid,
SCHEMBL5788498,
CTK7I7831,
DTXSID40375042,
ZINC2529009,
ANW-15336,
MFCD04117438,
AKOS005816552,
FS-6477,
AJ-38359,
TC-104081,
A-2998,
I01-11423,
4-(Naphthalen-1-yl)benzoicacid,
CID2760151,
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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