5,10-Methano-10H-dibenzo(a,d)cycloheptene-10,12-dicarboxylic acid, 5,11-dihydro-11-hydroxy-
Basic information
- CAS
5469-60-3- Standard SMILES
O=C(O)C1C2c3ccccc3C(O)C1(C(=O)O)c1ccccc12- InChIKey
FITUJGMJDXXJQY-UHFFFAOYSA-N- Molecular formula
- C18H14O5
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.08412354
Names & identifiers
- Preferred name
- 5,10-Methano-10H-dibenzo(a,d)cycloheptene-10,12-dicarboxylic acid, 5,11-dihydro-11-hydroxy-
- IUPAC
- 8-hydroxytetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-9,16-dicarboxylic acid
Names & synonyms
NSC25353MLS0026390505,10-Methano-10H-dibenzo(a,d)cycloheptene-10,12-dicarboxylic acid, 5,11-dihydro-11-hydroxy-5,10-Methano-10H-dibenzo[a,d]cycloheptene-10,12-dicarboxylic acid, 5,11-dihydro-11-hydroxy-NSC 25353hydroxy[?]dicarboxylic acid11-hydroxy-5,11-dihydro-10h-5,10-methanodibenzo[a,d][7]annulene-10,12-dicarboxylic acidDTXSID40969985HMS3093J07NSC-25353SMR001548503
Database identifiers
- CAS
5469-60-3- PubChem CID
- 230441
- DTXSID
DTXSID40969985
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 532
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Related reactions
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Compound notes
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