| CAS Number | 5563-21-3 |
| Catalog Number | AG01BHVQ(AGN-PC-00K59U) |
| Chemical Name | 1(2h)-naphthalenone, 3,4-dihydro-6-methoxy-3-methyl- |
| IUPAC Name | 6-methoxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one |
| InChI | InChI=1S/C12H14O2/c1-8-5-9-7-10(14-2)3-4-11(9)12(13)6-8/h3-4,7-8H,5-6H2,1-2H3 |
| InChI Key | HKXQUGVXGVPRCV-UHFFFAOYSA-N |
| MDL Number | MFCD02193365 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| SMILES | COC1=CC2=C(C(CC(C2)C)=O)C=C1 |
| Synonyms | 5563-21-3,
1(2H)-Naphthalenone, 3,4-dihydro-6-methoxy-3-methyl-,
6-methoxy-3-methyl-3,4-dihydronaphthalen-1(2H)-one,
SCHEMBL1699503,
HKXQUGVXGVPRCV-UHFFFAOYSA-N,
MFCD02193365,
AS-53408,
3,4-Dihydro-6-methoxy-3-methyl-1(2H)-naphthalenone,
6-methoxy-3-methyl-3,4-dihydronaphthalen-1 (2H)-one,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.242g/mol |
| Monoisotopic Mass | 190.099g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number