2-(3-Methylbenzoyl)naphthalene-1-carboxylic acid
Basic information
- CAS
69653-21-0- Standard SMILES
Cc1cccc(C(=O)c2ccc3ccccc3c2C(=O)O)c1- InChIKey
CMTYFXDRTIGSHG-UHFFFAOYSA-N- Molecular formula
- C19H14O3
- Average molar mass
- 290.3 g/mol
- Monoisotopic mass
- 290.0942943
Names & identifiers
- Preferred name
- 2-(3-Methylbenzoyl)naphthalene-1-carboxylic acid
- IUPAC
- 2-(3-methylbenzoyl)naphthalene-1-carboxylic acid
Names & synonyms
2-(3-methylbenzoyl)naphthalene-1-carboxylic acid69653-21-0NSC409467DTXSID50325255NSC-409467
Database identifiers
- CAS
69653-21-0- PubChem CID
- 349633
- DTXSID
DTXSID50325255
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
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Compound notes
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