syn HH coumarin dimer
Basic information
- CAS
5248-11-3- Standard SMILES
O=C1Oc2ccccc2[C@@H]2[C@H]1[C@@H]1C(=O)Oc3ccccc3[C@@H]12- InChIKey
LLDOJHIQWQQUIQ-GEEKYZPCSA-N- Molecular formula
- C18H12O4
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.07355886
Names & identifiers
- Preferred name
- syn HH coumarin dimer
- IUPAC
- (1S,2R,11R,12S)-9,14-dioxapentacyclo[10.8.0.02,11.03,8.015,20]icosa-3,5,7,15,17,19-hexaene-10,13-dione
Names & synonyms
NSC367613syn HH coumarin dimerSCHEMBL20785352NSC-367613
Database identifiers
- CAS
5248-11-3- PubChem CID
- 339770
- Nikkaji
- J471.196C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 469
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Related reactions
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Compound notes
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