1-(4-Methoxybenzoyl)naphthalene-2-carboxylic acid
Basic information
- CAS
66239-97-2- Standard SMILES
COc1ccc(C(=O)c2c(C(=O)O)ccc3ccccc23)cc1- InChIKey
HWXVPNFWOIIGGN-UHFFFAOYSA-N- Molecular formula
- C19H14O4
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.08920892
Names & identifiers
- Preferred name
- 1-(4-Methoxybenzoyl)naphthalene-2-carboxylic acid
- IUPAC
- 1-(4-methoxybenzoyl)naphthalene-2-carboxylic acid
- English name
- 1-(4-Methoxybenzoyl)naphthalene-2-carboxylic acid
- Molecular formula
- C19H14O4
- Molecular weight
- 306.31
Names & synonyms
1-(4-methoxybenzoyl)naphthalene-2-carboxylic acid66239-97-2NSC409645DTXSID60325322NSC-4096451-(4-methoxybenzoyl)-2-naphthoic acid2-Naphthalenecarboxylic acid, 1-(4-methoxybenzoyl)-
Database identifiers
- CAS
66239-97-2- PubChem CID
- 349795
- DTXSID
DTXSID60325322
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Melting point
- 216 · 216-217 °C
- Boiling point
- 536.7 · 536.7±40.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- pka
- 3.51 · 3.51±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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