Diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylate
Basic information
- CAS
21331-57-7- Standard SMILES
CCOC(=O)C1(C(=O)OCC)C2CC=CCC21- InChIKey
PHAMSSONVHXAAU-UHFFFAOYSA-N- Molecular formula
- C13H18O4
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.12050905
Names & identifiers
- Preferred name
- Diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylate
- IUPAC
- diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylate
Names & synonyms
21331-57-7diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylateNSC143785DTXSID20301501NSC-143785
Database identifiers
- CAS
21331-57-7- PubChem CID
- 286079
- DTXSID
DTXSID20301501
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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