Bicyclo(3.3.1)nonan-2-one

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Basic information

CAS: 2568-17-4
Standard SMILES: O=C1CCC2CCCC1C2
InChIKey: JTYKTCBMGNIYBC-UHFFFAOYSA-N
Molecular formula: C9H14O
Average molar mass: 138.21 g/mol
Monoisotopic mass: 138.10446507

Names & identifiers

Preferred name: Bicyclo(3.3.1)nonan-2-one
IUPAC: bicyclo[3.3.1]nonan-2-one
English name: Bicyclo[3.3.1]nonan-2-one
Molecular formula: C9H14O
Molecular weight: 138.21

Names & synonyms

Bicyclo[3.3.1]nonan-2-one2568-17-4Bicyclo(3.3.1)nonan-2-oneDTXSID70948561NSC 125570RefChem:119727DTXCID801376791JTYKTCBMGNIYBC-UHFFFAOYSA-NNSC125570bicyclo[3,3,1]-nonanoneSCHEMBL5242956CAA56817

Show more names

NSC-125570EN300-1084765

Database identifiers

CAS: 2568-17-4
PubChem CID: 137645
DTXSID: DTXSID70948561
Nikkaji: J530.225K

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 151

Physicochemical properties

Melting point: 135 · 135-137 °C
Boiling point: 219.8 · 219.8±8.0 °C(Predicted)
Density: 1.007 · 1.007±0.06 g/cm3(Predicted)
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

Upstream & downstream products

Upstream raw materials

Spiro[bicyclo[3.3.1]non-6-ene-2,2'-[1,3]dioxolane]Morpholine, 4-bicyclo[3.3.1]non-2-yl-Bicyclo[3.3.1]nonane-2,6-dione

Related reactions

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Compound notes

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