Basic information
- CAS
5447-44-9- Standard SMILES
COC(=O)C/C(=C\c1ccc2c(c1)OCO2)C(=O)OC- InChIKey
RVLAMCAJDQHBHI-BJMVGYQFSA-N- Molecular formula
- C14H14O6
- Average molar mass
- 278.26 g/mol
- Monoisotopic mass
- 278.07903816
Names & identifiers
- Preferred name
- dimethyl (2E)-2-(1,3-benzodioxol-5-ylmethylidene)butanedioate
- IUPAC
- dimethyl (2E)-2-(1,3-benzodioxol-5-ylmethylidene)butanedioate
Names & synonyms
NSC15710NSC-157105447-44-9Dimethyl (e)-2-(benzo[d][1,3]dioxol-5-ylmethylene)succinate
Database identifiers
- CAS
5447-44-9- PubChem CID
- 5354635
- Nikkaji
- J1.347.901A、J797.149D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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