Bicyclo(10.2.2)hexadeca-1(15),12(16),13-trien-6-one
Basic information
- CAS
97738-40-4- Standard SMILES
O=C1CCCCCc2ccc(cc2)CCCC1- InChIKey
ZTTMERVBBRDHKD-UHFFFAOYSA-N- Molecular formula
- C16H22O
- Average molar mass
- 230.34 g/mol
- Monoisotopic mass
- 230.16706532
Names & identifiers
- Preferred name
- Bicyclo(10.2.2)hexadeca-1(15),12(16),13-trien-6-one
- IUPAC
- bicyclo[10.2.2]hexadeca-1(14),12,15-trien-6-one
Names & synonyms
Bicyclo(10.2.2)hexadeca-1(15),12(16),13-trien-6-oneRefChem:56806497738-40-4684-977-4AKOS024322366
Database identifiers
- CAS
97738-40-4- PubChem CID
- 4152154
- EC Number
- 684-977-4
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 226
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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