Basic information
- CAS
4160-49-0- Standard SMILES
O=C1CCC2CC12- InChIKey
HFCMQKFXCMZZMZ-UHFFFAOYSA-N- Molecular formula
- C6H8O
- Average molar mass
- 96.13 g/mol
- Monoisotopic mass
- 96.05751487
Names & identifiers
- Preferred name
- Bicyclo[3.1.0]hexan-2-one
- IUPAC
- bicyclo[3.1.0]hexan-2-one
- English name
- Bicyclo[3.1.0]hexan-2-one
- Molecular formula
- C6H8O
- Molecular weight
- 96.13
Names & synonyms
Bicyclo[3.1.0]hexan-2-one4160-49-0DTXSID80338474Bicyclo(3.1.0)hexan-2-oneRefChem:329299DTXCID40289559HFCMQKFXCMZZMZ-UHFFFAOYSA-NMFCD20040018Bicyclo[3.1.0]hexanonebicyclo[3.1.0]hexan-2-onPB41663PB42786
Show more names
biscyclo[3.1.0]hexyl-2-onebicyclo[3.1.0]hexan-2-one - [B86723]
PB47934SY321215CS-0144918EN300-116351P19135SY222503BICYCLO[3.1.0]HEXAN-2-ONE, (1R,5S)-SCHEMBL1005181
Database identifiers
- CAS
4160-49-0- PubChem CID
- 549294
- DTXSID
DTXSID80338474- Nikkaji
- J461.897A
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Boiling point
- 58 °C · 58 °C(Press: 13 Torr)
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- form
- liquid
- color
- Clear, colourless
- 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
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers22 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Aladdin Scientific[email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海志信生物医药科技有限公司18701958033 · [email protected]
上海会兴生物科技有限公司（安 徽稠环生物科技有限公司）18621295758; 18621295758 · [email protected]
Related reactions
4 records
Compound notes
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