Basic information
- CAS
1212351-49-9- Standard SMILES
CCOc1ccc(C2C(C(=O)OC)C(O)=C(C(=O)OC)C(c3ccc(C#N)cc3)C2(C#N)C#N)cc1- InChIKey
MAIWVGLDMMNKHL-UHFFFAOYSA-N- Molecular formula
- C27H23N3O6
- Average molar mass
- 485.5 g/mol
Names & identifiers
- Preferred name
- Dimethyl 5,5-dicyano-6-(4-cyanophenyl)-4-(4-ethoxyphenyl)-2-hydroxy-1-cyclohexene-1,3-dicarboxylate
- IUPAC
- dimethyl 5,5-dicyano-6-(4-cyanophenyl)-4-(4-ethoxyphenyl)-2-hydroxycyclohexene-1,3-dicarboxylate
- English name
- DIMETHYL 5,5-DICYANO-6-(4-CYANOPHENYL)-4-(4-ETHOXYPHENYL)-2-HYDROXY-1-CYCLOHEXENE-1,3-DICARBOXYLATE
- Molecular formula
- C27H23N3O6
- Molecular weight
- 485.49
Names & synonyms
1212351-49-9dimethyl 5,5-dicyano-6-(4-cyanophenyl)-4-(4-ethoxyphenyl)-2-hydroxy-1-cyclohexene-1,3-dicarboxylate1,3-dimethyl 5,5-dicyano-6-(4-cyanophenyl)-4-(4-ethoxyphenyl)-2-hydroxycyclohex-1-ene-1,3-dicarboxylatedimethyl 5,5-dicyano-6-(4-cyanophenyl)-4-(4-ethoxyphenyl)-2-hydroxycyclohexene-1,3-dicarboxylateAKOS0050908273X-09041,3-dimethyl5,5-dicyano-6-(4-cyanophenyl)-4-(4-ethoxyphenyl)-2-hydroxycyclohex-1-ene-1,3-dicarboxylate1-Cyclohexene-1,3-dicarboxylic acid, 5,5-dicyano-6-(4-cyanophenyl)-4-(4-ethoxyphenyl)-2-hydroxy-, 1,3-dimethyl ester
Database identifiers
- CAS
1212351-49-9
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,010
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…