Basic information
- CAS
40897-25-4- Standard SMILES
COC(=O)C12C=C(c3ccccc3)C3c4ccccc4C1C32c1ccccc1- InChIKey
RXWGXLYCPWSJSW-UHFFFAOYSA-N- Molecular formula
- C26H20O2
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.14632988
Names & identifiers
- Preferred name
- Benzo[a]cyclopropa[cd]pentalene-2a-carboxylic acid, 2a,2b,6b,6c-tetrahydro-1,6c-diphenyl-, methyl ester
- IUPAC
- methyl 3,6-diphenyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),5,8,10-tetraene-4-carboxylate
- English name
- 6b,6c-Dihydro-1,6c-diphenylbenzo[a]cyclopropa[cd]pentalene-2a(2bH)-carboxylic acid methyl ester
- Molecular formula
- C26H20O2
- Molecular weight
- 364.44
Names & synonyms
RXWGXLYCPWSJSW-UHFFFAOYSA-NMethyl 1,6c-diphenyl-6b,6c-dihydrobenzo[a]cyclopropa[cd]pentalene-2a(2bh)-carboxylate #Benzo[a]cyclopropa[cd]pentalene-2a-carboxylic acid, 2a,2b,6b,6c-tetrahydro-1,6c-diphenyl-, methyl ester6b,6c-Dihydro-1,6c-diphenylbenzo[a]cyclopropa[cd]pentalene-2a(2bH)-carboxylic acid methyl esterBenzo[a]cyclopropa[cd]pentalene-2a(2bH)-carboxylic acid, 6b,6c-dihydro-1,6c-diphenyl-, methyl ester (9CI)
Database identifiers
- CAS
40897-25-4- PubChem CID
- 632505
- Nikkaji
- J146.759J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 683
Physicochemical properties
- Boiling point
- 428.8 · 428.8±45.0 °C(Predicted)
- Density
- 1.298 · 1.298±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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