Ethyl (+/-)-10,11-dihydro-3-carboxy-5H-dibenzo[a,d]cycloheptene-10-acetate
Basic information
- Standard SMILES
CCOC(=O)CC1Cc2ccc(C(=O)O)cc2Cc2ccccc21- InChIKey
CVZRARBOQHHUGT-UHFFFAOYSA-N- Molecular formula
- C20H20O4
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.13615911
Names & identifiers
- Preferred name
- Ethyl (+/-)-10,11-dihydro-3-carboxy-5H-dibenzo[a,d]cycloheptene-10-acetate
- IUPAC
- 10-(2-ethoxy-2-oxoethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid
Names & synonyms
CVZRARBOQHHUGT-UHFFFAOYSA-NEthyl (+/-)-10,11-dihydro-3-carboxy-5H-dibenzo[a,d]cycloheptene-10-acetate
Database identifiers
- PubChem CID
- 15516628
- Nikkaji
- J1.118.458H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 461
Related reactions
5 records
Compound notes
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