Basic information
- CAS
539-87-7- Standard SMILES
O=C1CCCCCCO1- InChIKey
BTLSLHNLDQCWKS-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- 2-Oxocanone
- IUPAC
- oxocan-2-one
- English name
- oxocan-2-one
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17
Names & synonyms
Heptanolactone539-87-72-oxocanoneDTXSID30202171RefChem:1064053DTXCID30124662oxocan-2-oneMFCD25969870c-caprolactam7-HeptanolideSCHEMBL541377oxocan-2-one(WXC05372)
Show more names
SCHEMBL1023867SCHEMBL1023868SCHEMBL9709446AS-76910D94278Q15726081
Database identifiers
- CAS
539-87-7- PubChem CID
- 136352
- DTXSID
DTXSID30202171- Nikkaji
- J734.876B
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.1
Physicochemical properties
- Boiling point
- 70 °C · 70 °C(Press: 5 Torr)
- Density
- 0.989 · 0.989±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers12 total
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
重庆星灿医药科技有限公司13594048950 19923294409 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海凯为化学科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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