Basic information
- CAS
769-32-4- Standard SMILES
O=C1CCC2=C1CCCCC2- InChIKey
YOKZDALFYWMEHH-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Names & identifiers
- Preferred name
- 3,4,5,6,7,8-Hexahydro-1(2H)-azulenone
- IUPAC
- 3,4,5,6,7,8-hexahydro-2H-azulen-1-one
- English name
- 3,4,5,6,7,8-hexahydroazulen-1(2H)-one
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
3,4,5,6,7,8-Hexahydroazulen-1(2H)-one769-32-4Y89Q2P5GN43,4,5,6,7,8-hexahydro-1(2H)-azulenoneDTXSID00227694RefChem:1065663DTXCID50150185212-208-03,4,5,6,7,8-hexahydro-2H-azulen-1-oneEINECS 212-208-0SCHEMBL8350165NS00037861
Show more names
1,2,3,4,5,6,7,8-Octahydroazulene-1-one
1(2H)-Azulenone, 3,4,5,6,7,8-hexahydro-
Database identifiers
- CAS
769-32-4- PubChem CID
- 69857
- DTXSID
DTXSID00227694- UNII
- Y89Q2P5GN4
- EC Number
- 212-208-0
- Nikkaji
- J193.148B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 58 · 58-60 °C(Press: 0.1 Torr)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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