Dimethyl 3,4-dichlorotricyclo[4.2.2.0~2,5~]deca-7,9-diene-7,8-dicarboxylate
Basic information
- CAS
91167-08-7- Standard SMILES
COC(=O)C1=C(C(=O)OC)C2C=CC1C1C(Cl)C(Cl)C21- InChIKey
VVNNZLSINMNERG-UHFFFAOYSA-N- Molecular formula
- C14H14Cl2O4
- Average molar mass
- 317.2 g/mol
- Monoisotopic mass
- 316.0269143
Names & identifiers
- Preferred name
- Dimethyl 3,4-dichlorotricyclo[4.2.2.0~2,5~]deca-7,9-diene-7,8-dicarboxylate
- IUPAC
- dimethyl 3,4-dichlorotricyclo[4.2.2.02,5]deca-7,9-diene-7,8-dicarboxylate
- English name
- dimethyl 3,4-dichlorotricyclo[4.2.2.0~2,5~]deca-7,9-diene-7,8-dicarboxylate
- Molecular formula
- C14H14Cl2O4
- Molecular weight
- 317.16456
Names & synonyms
91167-08-7dimethyl 3,4-dichlorotricyclo[4.2.2.0~2,5~]deca-7,9-diene-7,8-dicarboxylateDimethyl 3,4-dichlorotricyclo[4.2.2.02,5]deca-7,9-diene-7,8-dicarboxylateAK-830/13217187NSC280809DTXSID60314135NSC-280809
Database identifiers
- CAS
91167-08-7- PubChem CID
- 322703
- DTXSID
DTXSID60314135
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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