2-[(3-Methylphenyl)methyl]naphthalene-1-carboxylic acid
Basic information
- CAS
69653-22-1- Standard SMILES
Cc1cccc(Cc2ccc3ccccc3c2C(=O)O)c1- InChIKey
SJLBCQCATFWNKT-UHFFFAOYSA-N- Molecular formula
- C19H16O2
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.11502975
Names & identifiers
- Preferred name
- 2-[(3-Methylphenyl)methyl]naphthalene-1-carboxylic acid
- IUPAC
- 2-[(3-methylphenyl)methyl]naphthalene-1-carboxylic acid
Names & synonyms
2-[(3-methylphenyl)methyl]naphthalene-1-carboxylic acid69653-22-1NSC409474DTXSID30325258NSC-409474
Database identifiers
- CAS
69653-22-1- PubChem CID
- 349640
- DTXSID
DTXSID30325258
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
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Compound notes
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