Basic information
- CAS
85827-97-0- Standard SMILES
COC(=O)C1=C(C(=O)OC)C2OC1c1cc3ccccc3cc12- InChIKey
RRCFMWLKXOAGCC-UHFFFAOYSA-N- Molecular formula
- C18H14O5
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.08412354
Names & identifiers
- Preferred name
- Dimethyl 15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene-13,14-dicarboxylate
- IUPAC
- dimethyl 15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene-13,14-dicarboxylate
Names & synonyms
MLS00270187485827-97-0SMR001565464NSC373814cid_341502CHEMBL1736490BDBM93507DTXSID30321356NSC-373814NCI60_003486Dimethyl 1,4-dihydro-1,4-epoxyanthracene-2,3-dicarboxylate
Database identifiers
- CAS
85827-97-0- PubChem CID
- 341502
- DTXSID
DTXSID30321356- ChEMBL
CHEMBL1736490
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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