Basic information
- CAS
22485-51-4- Standard SMILES
CCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)OC2=O- InChIKey
XYYCSQGLMVDENW-UHFFFAOYSA-N- Molecular formula
- C21H28O5
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.193674
Names & identifiers
- Preferred name
- 4-Dodecyloxycarbonylphthalic anhydride
- IUPAC
- dodecyl 1,3-dioxo-2-benzofuran-5-carboxylate
- English name
- 1,3-Dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid dodecyl ester
- Molecular weight
- 0
Names & synonyms
4-dodecyloxycarbonylphthalic anhydride22485-51-4DTXSID00345685RefChem:292374DTXCID902967585-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, dodecyl ester1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, dodecyl esterSCHEMBL5077390Dodecyl 1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylateDodecyl 1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate #1,3-Dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid dodecyl ester
Database identifiers
- CAS
22485-51-4- PubChem CID
- 606385
- DTXSID
DTXSID00345685- Nikkaji
- J143.454C
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 473
Related reactions
5 records
Compound notes
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