Basic information
- CAS
25368-56-3- Standard SMILES
CC(=O)CCCCCCCO- InChIKey
HQVHZUJAAKTDQH-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067982
Overview
9-hydroxy2-nonanone has been reported in Kaempferia galanga and Pimenta racemosa with data available.
Names & identifiers
- Preferred name
- 9-Hydroxynonan-2-one
- IUPAC
- 9-hydroxynonan-2-one
- English name
- 9-Hydroxy-2-nonanone
- Molecular formula
- C9H18O2
- Molecular weight
- 158.24
Names & synonyms
9-hydroxynonan-2-one9-Hydroxy-2-nonanone25368-56-32-Nonanone, 9-hydroxy-9-hydroxy2-nonanoneMFCD246882438-oxononan-1-olSCHEMBL3950984DTXSID00336937SY393628F71848
Database identifiers
- CAS
25368-56-3- PubChem CID
- 537408
- DTXSID
DTXSID00336937- Nikkaji
- J129.282J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 99.7
Physicochemical properties
- Melting point
- 23 · 23-23.5 °C
- Boiling point
- 268.9 · 268.9±23.0 °C(Predicted)
- Density
- 0.921 · 0.921±0.06 g/cm3(Predicted)
- pka
- 15.19 · 15.19±0.10(Predicted)
Chemistry & industry
Suppliers5 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
3 records
Compound notes
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