Basic information
- CAS
70759-88-5- Standard SMILES
COC(=O)c1c2c(cc3c1CC3)CC2- InChIKey
IQFQTOMKIMEOJA-UHFFFAOYSA-N- Molecular formula
- C12H12O2
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.08372962
Names & identifiers
- Preferred name
- Tricyclo(6.2.0.0(3,6))deca-1(8),2,6-triene-2-carboxylic acid methyl ester
- IUPAC
- methyl tricyclo[6.2.0.03,6]deca-1(8),2,6-triene-2-carboxylate
Names & synonyms
TRICYCLO(6.2.0.0(3,6))DECA-1(8),2,6-TRIENE-2-CARBOXYLIC ACID METHYL ESTERRefChem:89933970759-88-5684-770-9AKOS024322789
Database identifiers
- CAS
70759-88-5- PubChem CID
- 4616248
- EC Number
- 684-770-9
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
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, P301+P317, P330, 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.
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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