| CAS Number | 5672-94-6 |
| Catalog Number | AG00IMIP(AGN-PC-0WOMZ9) |
| Chemical Name | 1-Acetyl-2-methoxynaphthalene |
| IUPAC Name | 1-(2-methoxynaphthalen-1-yl)ethanone |
| InChI | InChI=1S/C13H12O2/c1-9(14)13-11-6-4-3-5-10(11)7-8-12(13)15-2/h3-8H,1-2H3 |
| InChI Key | WFBBDKXOGOJOKY-UHFFFAOYSA-N |
| MDL Number | MFCD11553477 |
| Molecular Formula | C13H12O2 |
| Molecular Weight | 200.2332 |
| SMILES | O=C(C)C1=C2C(C=CC=C2)=CC=C1OC |
| Synonyms | 1-acetyl-2-methoxynaphthalene,
5672-94-6,
1-(2-methoxynaphthalen-1-yl)ethanone,
2'-Methoxy-1'-acetonaphthone,
1-(2-methoxy-1-naphthyl)ethanone,
AC1L9XYX,
2-Methoxy-1-acetonaphthone,
SCHEMBL3357585,
CTK2A4300,
Ethanone, 1-(methoxynaphthalenyl)-,
ZINC5884253,
MFCD11553477,
Ethanone, 1-(2-methoxy-1-naphthalenyl)-,
AI3-10524,
M2875,
646516-92-9,
AIDS017980,
CID458194,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.237g/mol |
| Monoisotopic Mass | 200.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number