2-Methoxy-1,3-cycloheptadiene
Basic information
- CAS
98677-95-3- Standard SMILES
COC1=CCCCC=C1- InChIKey
JYVRGXIYJXJIBY-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- 2-Methoxy-1,3-cycloheptadiene
- IUPAC
- 2-methoxycyclohepta-1,3-diene
Names & synonyms
2-Methoxy-1,3-cycloheptadiene98677-95-32-methoxycyclohepta-1,3-dieneDTXSID20243775
Database identifiers
- CAS
98677-95-3- PubChem CID
- 145333
- DTXSID
DTXSID20243775
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 134
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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