Basic information
- CAS
20498-02-6- Standard SMILES
O=C1CC2CCCC(O)(C1)C2- InChIKey
ORACVJSFGOAVME-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.09937969
Names & identifiers
- Preferred name
- 1-Hydroxybicyclo[3.3.1]nonan-3-one
- IUPAC
- 1-hydroxybicyclo[3.3.1]nonan-3-one
- English name
- 1-Hydroxy-bicyclo[3.3.1]nonan-3-one
- Molecular formula
- C9H14O2
- Molecular weight
- 154.21
Names & synonyms
1-hydroxybicyclo[3.3.1]nonan-3-one20498-02-6Bicyclo[3.3.1]nonan-3-one, 1-hydroxy-CHEMBL297652SCHEMBL1848624DTXSID20497731ORACVJSFGOAVME-UHFFFAOYSA-NCS-0256546EN300-6496213Z12554912191-Hydroxy-bicyclo[3.3.1]nonan-3-one
Database identifiers
- CAS
20498-02-6- PubChem CID
- 12426257
- DTXSID
DTXSID20497731- ChEMBL
CHEMBL297652- Nikkaji
- J3.109.846G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
PRINCETON[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
1 records
Compound notes
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