Basic information
- CAS
22426-47-7- Standard SMILES
CC(=O)Oc1ccc2cc(OC(C)=O)ccc2c1- InChIKey
JTUIDPCUTRXCPW-UHFFFAOYSA-N- Molecular formula
- C14H12O4
- Average molar mass
- 244.24 g/mol
- Monoisotopic mass
- 244.07355886
Names & identifiers
- Preferred name
- 2,6-Diacetoxynaphthalene
- IUPAC
- (6-acetyloxynaphthalen-2-yl) acetate
- English name
- 2,6-Naphthalenediol diacetate
- Molecular formula
- C14H12O4
- Molecular weight
- 244.24
Names & synonyms
22426-47-72,6-DiacetoxynaphthaleneDTXSID10344189RefChem:1060225DTXCID70295264Naphthalene-2,6-diyl diacetate2,6-Naphthalenediol diacetate(6-acetyloxynaphthalen-2-yl) acetateMFCD000359556-(acetyloxy)naphthalen-2-yl acetate2,6-Diacetoxyl naphthalene2,6-Dacetoxynaphthalene
Show more names
dacetoxynaphthaleneDiacetoxynaphthalene2,6-acetoxy-naphthalene2,6-Naphthylene diacetate2,6-DIACETHOXYNAPHTHALENE2,6-phthalenediol diacetate2,6-Diacetoxynaphthalene>
Naphthalene-2,6-diyldiacetateSCHEMBL3974361SCHEMBL30595409(6-acetoxy-2-naphthyl) acetate6-(Acetyloxy)-2-naphthyl acetate #AKOS004904695SY053291DB-045911
Database identifiers
- CAS
22426-47-7- PubChem CID
- 594930
- DTXSID
DTXSID10344189- Nikkaji
- J111.195G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Melting point
- 177 °C · 177 °C
- Boiling point
- 386.5 · 386.5±15.0 °C(Predicted)
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- color
- White to Almost white
- CAS DataBase Reference
- 22426 · 22426-47-7(CAS DataBase Reference)
- HS Code
- 2915.39 · 2915.39.3500
Safety & regulation
Safety data
- hs_code
- 2915.39.3500
Chemistry & industry
Suppliers60 total
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Related reactions
8 records
Compound notes
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