Basic information
- CAS
36639-40-4- Standard SMILES
COC(OC)C1C=CC=CC=C1- InChIKey
SNZDPDXTEQSXAR-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Names & identifiers
- Preferred name
- 7-(Dimethoxymethyl)cyclohepta-1,3,5-triene
- IUPAC
- 7-(dimethoxymethyl)cyclohepta-1,3,5-triene
Names & synonyms
36639-40-47-(dimethoxymethyl)cyclohepta-1,3,5-trieneNSC1556477-(Dimethoxymethyl)-1,3,5-cycloheptatrieneDTXSID30957896NSC-155647
Database identifiers
- CAS
36639-40-4- PubChem CID
- 291111
- DTXSID
DTXSID30957896- Nikkaji
- J2.461.737H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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