Basic information
- CAS
156413-21-7- Standard SMILES
COC(=O)C1=CCC2OC2C1- InChIKey
UULQKSMVRFWMGD-UHFFFAOYSA-N- Molecular formula
- C8H10O3
- Average molar mass
- 154.16 g/mol
- Monoisotopic mass
- 154.06299418
Names & identifiers
- Preferred name
- Methyl 7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
- IUPAC
- methyl 7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
- English name
- 7-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylicacid,methylester(9CI)
- Molecular formula
- C8H10O3
- Molecular weight
- 154.16
Names & synonyms
Methyl 7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate156413-21-77-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylicacid,methylester(9CI)DTXSID60338452UULQKSMVRFWMGD-UHFFFAOYSA-NAKOS024329397Methyl 7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate #7-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, methyl ester, (.+/-.)-7-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, methyl ester
Database identifiers
- CAS
156413-21-7- PubChem CID
- 549178
- DTXSID
DTXSID60338452
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 223.7 · 223.7±40.0 °C(Predicted)
- Density
- 1.231 · 1.231±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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