1-Naphthalenol, 1-benzoate
Basic information
- CAS
607-55-6- Standard SMILES
O=C(Oc1cccc2ccccc12)c1ccccc1- InChIKey
KZWCTFLBFSWYHS-UHFFFAOYSA-N- Molecular formula
- C17H12O2
- Average molar mass
- 248.27 g/mol
- Monoisotopic mass
- 248.08372962
Names & identifiers
- Preferred name
- 1-Naphthalenol, 1-benzoate
- IUPAC
- naphthalen-1-yl benzoate
- English name
- 1-naphthyl benzoate
- Molecular formula
- C17H12O2
- Molecular weight
- 248.28
Names & synonyms
1-Naphthyl benzoate607-55-61-Naphthalenol, benzoateAI3-19697NSC-45281-Naphthalenol, 1-benzoateQ6K7F22XRUDTXSID20209513RefChem:1055996DTXCID70132004210-136-4naphthalen-1-yl benzoate
Show more names
1-Naphthyl bezoateBenzoic acid 1-naphtyl esterbenzoic acid 1-naphthyl ester
1-Naphthol, benzoateMLS002637755benzoic acid naphthalen-1-yl esterNaphthylbenzoatEINECS 210-136-4ChemDiv3_000564SCHEMBL2477732SCHEMBL6414472
Database identifiers
- CAS
607-55-6- PubChem CID
- 69086
- DTXSID
DTXSID20209513- ChEMBL
CHEMBL1730025- UNII
- Q6K7F22XRU
- EC Number
- 210-136-4
- Nikkaji
- J95.524H
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 306
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Melting point
- 55.85 °C · 55.85°C
- Boiling point
- 351.35 °C · 351.35°C (rough estimate)
- Density
- 1.129 · 1.1290 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- FDA UNII
- 6 K7F22XRU · Q6K7F22XRU
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Related reactions
1 records
Compound notes
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