Basic information
- CAS
499159-81-8- Standard SMILES
Oc1c(O)c2c(c3c1CCC3)C1CCOC21- InChIKey
KGANJWMRTXNCJO-UHFFFAOYSA-N- Molecular formula
- C13H14O3
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.0942943
Names & identifiers
- Preferred name
- 11-Oxatetracyclo[7.5.0.02,6.010,14]tetradeca-1(9),2(6),7-triene-7,8-diol
- IUPAC
- 11-oxatetracyclo[7.5.0.02,6.010,14]tetradeca-1(9),2(6),7-triene-7,8-diol
- English name
- 1H-Indeno[4,5:3,4]cyclobuta[1,2-b]furan-4,5-diol, 2,3,5b,7,8,8a-hexahydro- (9CI)
- Molecular formula
- C13H14O3
- Molecular weight
- 218.25
Names & synonyms
1H-Indeno[4',5':3,4]cyclobuta[1,2-b]furan-4,5-diol, 2,3,5b,7,8,8a-hexahydro-1H-Indeno[4,5:3,4]cyclobuta[1,2-b]furan-4,5-diol, 2,3,5b,7,8,8a-hexahydro- (9CI)
Database identifiers
- CAS
499159-81-8- PubChem CID
- 10889370
- Nikkaji
- J1.857.472A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 306
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
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Compound notes
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