Basic information
- CAS
4728-90-9- Standard SMILES
O=C1CCCCCC12CCCCC2- InChIKey
KCDWPGLRMHNEPK-UHFFFAOYSA-N- Molecular formula
- C12H20O
- Average molar mass
- 180.29 g/mol
- Monoisotopic mass
- 180.15141526
Names & identifiers
- Preferred name
- Spiro(5.6)dodecan-7-one
- IUPAC
- spiro[5.6]dodecan-12-one
- English name
- Spiro[5.6]dodecan-7-one
- Molecular formula
- C12H20O
- Molecular weight
- 180.29
Names & synonyms
Spiro[5.6]dodecan-7-one4728-90-9spiro(5.6)dodecan-7-oneDTXSID80300237RefChem:380908DTXCID40251372KCDWPGLRMHNEPK-UHFFFAOYSA-Nspiro[5.6]dodecan-12-oneNSC135474spiro[5.6]dodecan-7-onSCHEMBL3815762EAA72890
Show more names
AKOS022505384NSC-135474CS-0233764EN300-135954Z1255465953
Database identifiers
- CAS
4728-90-9- PubChem CID
- 282264
- DTXSID
DTXSID80300237- Nikkaji
- J99.555J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 133 · 133-135 °C(Press: 18 Torr)
- Density
- 0.9906 g/cm3 · 0.9906 g/cm3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
4 records
Compound notes
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