Dimethyl 4-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
Basic information
- CAS
18064-04-5- Standard SMILES
COC(=O)C1=C(C(=O)OC)C2(C)C=CC1O2- InChIKey
YMLYGZRGLAHWMQ-UHFFFAOYSA-N- Molecular formula
- C11H12O5
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.06847348
Names & identifiers
- Preferred name
- Dimethyl 4-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
- IUPAC
- dimethyl 1-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
- English name
- 7-Oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylicacid, 1-methyl-, 2,3-dimethyl ester
- Molecular formula
- C11H12O5
- Molecular weight
- 224.21
Names & synonyms
18064-04-5dimethyl 1-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylatedimethyl 4-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylateDIMETHYL 1-METHYL-7-OXABICYCLO(2.2.1)HEPTA-2,5-DIENE-2,3-DICARBOXYLATENSC196593CHEMBL1997050SCHEMBL13998257DTXSID80307923AKOS024406066NSC-196593ST512245361-Methyl-7-oxa-bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid dimethyl ester
Show more names
7-Oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylicacid, 1-methyl-, 2,3-dimethyl ester
Database identifiers
- CAS
18064-04-5- PubChem CID
- 304499
- DTXSID
DTXSID80307923- ChEMBL
CHEMBL1997050- EC Number
- 123-427-5
- Nikkaji
- J732.945H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 420
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)
The GHS information provided by 1 company from 1 notification 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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