Basic information
- CAS
20275-26-7- Standard SMILES
COC(=O)c1cccc2c1=c1c(C(=O)OC)cccc1=2- InChIKey
ZTSHLNMZAKEYRM-UHFFFAOYSA-N- Molecular formula
- C16H12O4
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.07355886
Names & identifiers
- Preferred name
- Dimethyl biphenylene-1,8-dicarboxylate
- IUPAC
- dimethyl biphenylene-1,8-dicarboxylate
Names & synonyms
20275-26-7dimethyl biphenylene-1,8-dicarboxylateSCHEMBL70816SCHEMBL70817DTXSID50305830NSC171752NSC-171752
Database identifiers
- CAS
20275-26-7- PubChem CID
- 299281
- DTXSID
DTXSID50305830- Nikkaji
- J802.795A
Properties
Computed structural properties
- XLogP
- 1.5
- 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
- 649
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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