Methyl 5-oxotetracyclo(4.3.0.0^(2,4).0^(3,8))nonane-4-carboxylate
Basic information
- CAS
123005-01-6- Standard SMILES
COC(=O)C12C(=O)C3CC4CC3C1C42- InChIKey
XZTCMUYZCHLPKN-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Names & identifiers
- Preferred name
- Methyl 5-oxotetracyclo(4.3.0.0^(2,4).0^(3,8))nonane-4-carboxylate
- IUPAC
- methyl 5-oxotetracyclo[4.3.0.02,4.03,8]nonane-4-carboxylate
Names & synonyms
123005-01-6methyl 5-oxotetracyclo[4.3.0.0^{2,4}.0^{3,8}]nonane-4-carboxylateMethyl 5-oxotetracyclo(4.3.0.0^(2,4).0^(3,8))nonane-4-carboxylateRefChem:817174989-627-7methyl 5-oxotetracyclo[4.3.0.02,4.03,8]nonane-4-carboxylate2-Oxo-1,3-methanooctahydrocyclopropa[cd]pentalene-2a-carboxylic acid methyl estermethyl5-oxotetracyclo[4.3.0.0^{2,4}.0^{3,8}]nonane-4-carboxylateEN300-7536983
Database identifiers
- CAS
123005-01-6- PubChem CID
- 75229873
- EC Number
- 989-627-7
- Nikkaji
- J2.861.492F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 375
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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