4-Methyltricyclo[6.2.1.0^{2,7}]undeca-4,9-diene-3,6-dione
Basic information
- CAS
70050-88-3- Standard SMILES
CC1=CC(=O)C2C3C=CC(C3)C2C1=O- InChIKey
VVJNELUVYOGFDK-UHFFFAOYSA-N- Molecular formula
- C12H12O2
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.08372962
Names & identifiers
- Preferred name
- 4-Methyltricyclo[6.2.1.0^{2,7}]undeca-4,9-diene-3,6-dione
- IUPAC
- 4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
Names & synonyms
70050-88-34-Methyltricyclo[6.2.1.0,2,7]undeca-4,9-diene-3,6-dione4-methyltricyclo[6.2.1.0^{2,7}]undeca-4,9-diene-3,6-dione4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dioneVVJNELUVYOGFDK-UHFFFAOYSA-NTricyclo[6.2.1.0(2,7)]undeca-4,9-diene, 4-methyl-3,6-dioxo-AKOS033199376CS-0251374EN300-54546Z812534854
Database identifiers
- CAS
70050-88-3- PubChem CID
- 548815
- EC Number
- 177-162-5
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 389
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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