Diethyl 9,10-dihydro-9,10-ethanoanthracene-11,11-dicarboxylate
Basic information
- CAS
116279-89-1- Standard SMILES
CCOC(=O)C1(C(=O)OCC)CC2c3ccccc3C1c1ccccc12- InChIKey
YWOSXUDEAJOMAE-UHFFFAOYSA-N- Molecular formula
- C22H22O4
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.15180918
Names & identifiers
- Preferred name
- Diethyl 9,10-dihydro-9,10-ethanoanthracene-11,11-dicarboxylate
- IUPAC
- diethyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,15-dicarboxylate
- English name
- diethyl endo-dihydro-9,10-ethanoanthracenedicarboxylate
- Molecular formula
- C22H22O4
- Molecular weight
- 350.41
Names & synonyms
116279-89-1diethyl 9,10-dihydro-9,10-ethanoanthracene-11,11-dicarboxylateDTXSID20392934RefChem:337946DTXCID30343795diethyl endo-dihydro-9,10-ethanoanthracenedicarboxylatediethyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,15-dicarboxylate15,15-diethyl tetracyclo[6.6.2.0]hexadeca-2(7),3,5,9(14),10,12-hexaene-15,15-dicarboxylateSCHEMBL13821190AKOS024307427DIETHYL 9,10-DIHYDRO-9,10-ETHANO-ANTHRACENE-11,11-DICARBOXYLATECS-0236002
Show more names
9,10-Ethanoanthracene-11,11-dicarboxylic acid, 9,10-dihydro-, 11,11-diethyl ester15,15-Diethyl tetracyclo[6.6.2.0,.0,]hexadeca-2(7),3,5,9(14),10,12-hexaene-15,15-dicarbox
EN300-1663695F1905-699015,15-diethyl tetracyclo[6.6.2.0?,?.0?,??]hexadeca-2(7),3,5,9(14),10,12-hexaene-15,15-dicarboxylate15,15-diethyl tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2(7),3,5,9(14),10,12-hexaene-15,15-dicarboxylate
Database identifiers
- CAS
116279-89-1- PubChem CID
- 3485889
- DTXSID
DTXSID20392934- EC Number
- 103-224-8
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 514
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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