Spiro(4.4)nonane-1,6-dione
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Basic information
- CAS
27723-43-9- Standard SMILES
O=C1CCCC12CCCC2=O- InChIKey
PIOGLWMIXIMTAW-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Names & identifiers
- Preferred name
- Spiro(4.4)nonane-1,6-dione
- IUPAC
- spiro[4.4]nonane-4,9-dione
- English name
- Spiro[4.4]nonane-1,6-dione
- Molecular formula
- C9H12O2
- Molecular weight
- 152.19
Names & synonyms
Spiro[4.4]nonane-1,6-dione27723-43-9DTXSID40317321Spiro(4.4)nonane-1,6-dioneRefChem:380882DTXCID80268444PIOGLWMIXIMTAW-UHFFFAOYSA-Nspiro[4.4]nonane-4,9-dioneMFCD00457280NSC314546SCHEMBL1903325spiro[4.4]-nonane-1,6-dione
Show more names
NSC-314546PB42446BS-42768SY321297CS-0185236P18060CBA72343F626054
Database identifiers
- CAS
27723-43-9- PubChem CID
- 329798
- DTXSID
DTXSID40317321- Nikkaji
- J1.187.776A、J100.037C
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Melting point
- 37 · 37.0-37.5 °C
- Boiling point
- 125 · 125-130 °C(Press: 22 Torr)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- Appearance
- light yellow solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- HS Code
- 2914290090 · 2914290090
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
- hs_code
- 2914290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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