3-(6-Methoxynaphthalen-2-yl)-2,2-dimethylpropanoic acid
Basic information
- CAS
63021-00-1- Standard SMILES
COc1ccc2cc(CC(C)(C)C(=O)O)ccc2c1- InChIKey
SMKLZXIWNMEXSQ-UHFFFAOYSA-N- Molecular formula
- C16H18O3
- Average molar mass
- 258.31 g/mol
- Monoisotopic mass
- 258.12559443
Names & identifiers
- Preferred name
- 3-(6-Methoxynaphthalen-2-yl)-2,2-dimethylpropanoic acid
- IUPAC
- 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpropanoic acid
- English name
- 6-Methoxy-α,α-dimethyl-2-naphthalenepropionic acid
- Molecular formula
- C16H18O3
- Molecular weight
- 258.31
Names & synonyms
3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpropanoic acid63021-00-1Dimethyl ethyl allenolic acid methyl etherBRN 3322557Acide dimethyl-ethyl-allenolique ether methylique [French]Propionic acid, alpha,alpha-dimethyl-2-(6-methoxynaphthyl)-Acide dimethyl-ethyl-allenolique ether methylique3-10-00-01123 (Beilstein Handbook Reference)6-Methoxy-alpha,alpha-dimethyl-2-naphthalenepropionic acidDTXSID80978930DB-2966256-Methoxy-α,α-dimethyl-2-naphthalenepropionic acid
Show more names
2-Naphthalenepropanoic acid, 6-methoxy-α,α-dimethyl-
Database identifiers
- CAS
63021-00-1- PubChem CID
- 112981
- DTXSID
DTXSID80978930- Nikkaji
- J71.048B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Boiling point
- 341.57 °C · 341.57°C (rough estimate)
- Density
- 1.1708 · 1.1708 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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