Basic information
- CAS
705-95-3- Standard SMILES
COC(=O)/C=C/C1CCCCC1- InChIKey
XKLAFWWDQPGTLE-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- Methyl (2E)-3-cyclohexylprop-2-enoate
- IUPAC
- methyl (E)-3-cyclohexylprop-2-enoate
- English name
- Cyclohexaneacrylic acid methyl ester
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
METHYL (2E)-3-CYCLOHEXYLPROP-2-ENOATE705-95-326429-99-2methyl (E)-3-cyclohexylacrylatemethyl (E)-3-cyclohexylprop-2-enoateCYCLOHEXANEACRYLIC ACID METHYL ESTERCyclohexaneacrylic acid methylesterNSC29892SCHEMBL9064096XKLAFWWDQPGTLE-BQYQJAHWSA-NMFCD07437903NSC-29892
Show more names
2-Propenoic acid, 3-cyclohexyl-, methyl ester
AKOS006284615SY466328(2E)-3-cyclohexylpropenoic acid methyl esterEN300-1455878
Database identifiers
- CAS
705-95-3- PubChem CID
- 5355239
- Nikkaji
- J1.850.173B、J708.333E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 227.1 · 227.1±9.0 °C(Predicted)
- Density
- 1.036 · 1.036±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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