Basic information
- CAS
125836-70-6- Standard SMILES
COc1ccc2cc([C@H](C)N=C=O)ccc2c1- InChIKey
VUWNJESDDBBAAE-JTQLQIEISA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Overview
structure given in first source
Names & identifiers
- Preferred name
- Naproxen isocyanate
- IUPAC
- 2-[(1S)-1-isocyanatoethyl]-6-methoxynaphthalene
- English name
- naproxen isocyanate
- Molecular formula
- C14H13NO2
- Molecular weight
- 227.26
Names & synonyms
Naproxen isocyanate125836-70-6DTXSID00154956RefChem:164787DTXCID40774472-[(1S)-1-isocyanatoethyl]-6-methoxynaphthalene(S)-2-(1-isocyanatoethyl)-6-methoxynaphthaleneNaphthalene, 2-(1-isocyanatoethyl)-6-methoxy-, (S)-Naphthalene, 2-(1-isocyanatoethyl)-6-methoxy-, (S)- (9CI)
Database identifiers
- CAS
125836-70-6- PubChem CID
- 5492450
- DTXSID
DTXSID00154956
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Boiling point
- 356.3 · 356.3±25.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
Chemistry & industry
Applications
DescriptionNaproxen isocyanate is an NSAID.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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