| CAS Number | 92616-44-9 |
| Catalog Number | AG006G1S(AGN-PC-00MEJH) |
| Chemical Name | 2-Cyano-3-methoxynaphthalene |
| IUPAC Name | 3-methoxynaphthalene-2-carbonitrile |
| InChI | InChI=1S/C12H9NO/c1-14-12-7-10-5-3-2-4-9(10)6-11(12)8-13/h2-7H,1H3 |
| InChI Key | FFTOPFYRWFXMRB-UHFFFAOYSA-N |
| MDL Number | MFCD17012444 |
| Molecular Formula | C12H9NO |
| Molecular Weight | 183.2060 |
| SMILES | N#Cc1cc2ccccc2cc1OC |
| Synonyms | 2-CYANO-3-METHOXYNAPHTHALENE,
92616-44-9,
3-Methoxynaphthalene-2-carbonitrile,
2-methoxy-3-naphthonitrile,
3-methoxy-2-naphthonitrile,
SCHEMBL10822944,
CTK5H1471,
DTXSID70538608,
FFTOPFYRWFXMRB-UHFFFAOYSA-N,
KM3118,
MFCD17012444,
ZINC39627228,
AKOS015836405,
DB-083895,
TR-038428,
FT-0713810,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.21g/mol |
| Monoisotopic Mass | 183.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number