Methyl 3,3-dimethylcyclobut-1-ene-1-carboxylate
Basic information
- CAS
37676-91-8- Standard SMILES
COC(=O)C1=CC(C)(C)C1- InChIKey
OMEOZSYTDFVFCW-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Names & identifiers
- Preferred name
- Methyl 3,3-dimethylcyclobut-1-ene-1-carboxylate
- IUPAC
- methyl 3,3-dimethylcyclobutene-1-carboxylate
- English name
- 1-Cyclobutene-1-carboxylicacid,3,3-dimethyl-,methylester(7CI,9CI)
- Molecular formula
- C8H12O2
- Molecular weight
- 140.18
Names & synonyms
Methyl 3,3-dimethylcyclobut-1-ene-1-carboxylate37676-91-8methyl 3,3-dimethylcyclobutene-1-carboxylate1-Cyclobutene-1-carboxylic acid, 3,3-dimethyl-, methyl esterDTXSID00545547MBA67691PB19669CS-0183546Methyl3,3-dimethylcyclobut-1-ene-1-carboxylateP12476EN300-16976863,3-Dimethyl-cyclobut-1-enecarboxylic acid methyl ester
Show more names
methyl (3,3-dimethyl-1-cyclobutene)carboxylate
1-Cyclobutene-1-carboxylicacid,3,3-dimethyl-,methylester(7CI,9CI)
Database identifiers
- CAS
37676-91-8- PubChem CID
- 13635308
- DTXSID
DTXSID00545547- Nikkaji
- J1.619.596K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 189
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 52 °C · 52 °C(Press: 14 Torr)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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