3-Methylidenehepta-5,6-dien-2-one
Basic information
- CAS
42809-45-0- Standard SMILES
C=C=CCC(=C)C(C)=O- InChIKey
MSXQCBZVCLGLHO-UHFFFAOYSA-N- Molecular formula
- C8H10O
- Average molar mass
- 122.16 g/mol
Names & identifiers
- Preferred name
- 3-Methylidenehepta-5,6-dien-2-one
- IUPAC
- 3-methylidenehepta-5,6-dien-2-one
- English name
- 5,6-Heptadien-2-one, 3-methylene- (9CI)
- Molecular formula
- C8H10O
- Molecular weight
- 122.16
Names & synonyms
42809-45-0DB-2841305,6-HEPTADIEN-2-ONE, 3-METHYLENE-5,6-Heptadien-2-one, 3-methylene- (9CI)
Database identifiers
- CAS
42809-45-0
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 171
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…