methyl 4c,8b-dihydrodibenzo[a,f]cyclopropa[cd]pentalene-8d(4bH)-carboxylate
Basic information
- CAS
6580-47-8- Standard SMILES
COC(=O)C12C3c4ccccc4C1C2c1ccccc13- InChIKey
SCXNASRRNKGVJA-UHFFFAOYSA-N- Molecular formula
- C18H14O2
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.09937969
Names & identifiers
- Preferred name
- methyl 4c,8b-dihydrodibenzo[a,f]cyclopropa[cd]pentalene-8d(4bH)-carboxylate
- IUPAC
- methyl pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-1-carboxylate
- English name
- Dibenzo[a,f]cyclopropa[cd]pentalene-8e(4bH)-carboxylic acid, 4b,8c-dihydro-, methyl ester (9CI)
- Molecular formula
- C18H14O2
- Molecular weight
- 262.3
Names & synonyms
6580-47-8NSC254912methyl 4c,8b-dihydrodibenzo[a,f]cyclopropa[cd]pentalene-8d(4bH)-carboxylateOprea1_375170DTXSID30330428AKOS024329306NSC-254912AE-646/12711006Methyl 8b,8c-dihydrodibenzo[a,f]cyclopropa[cd]pentalene-8e(4bH)-carboxylateDibenzo[a,f]cyclopropa[cd]pentalene-8e(4bH)-carboxylic acid, 4b,8c-dihydro-, methyl ester (9CI)
Database identifiers
- CAS
6580-47-8- PubChem CID
- 429392
- DTXSID
DTXSID30330428
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Melting point
- 169.5 · 169.5-170.5 °C
- Boiling point
- 358.7 · 358.7±11.0 °C(Predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…