Basic information
- CAS
6976-76-7- Standard SMILES
COC1(c2ccccc2)CCCCCC1=O- InChIKey
LOCPTSFJZDIICR-UHFFFAOYSA-N- Molecular formula
- C14H18O2
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.13067981
Names & identifiers
- Preferred name
- 2-Methoxy-2-phenylcycloheptanone
- IUPAC
- 2-methoxy-2-phenylcycloheptan-1-one
- English name
- Toluene diisocyanate dimer)
- Molecular formula
- C18H12N4O4
- Molecular weight
- 348.31228
Names & synonyms
2-methoxy-2-phenylcycloheptan-1-one6976-76-72-methoxy-2-phenylcycloheptanoneNSC24796DTXSID70282174DTXSID801009241NSC-247969019-84-5Toluene diisocyanate dimer)
Database identifiers
- CAS
6976-76-7、9019-84-5- PubChem CID
- 230204
- DTXSID
DTXSID70282174
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Chemistry & industry
Suppliers1 total
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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