Benzeneacetic acid, dodecyl ester
Basic information
- CAS
94760-90-4- Standard SMILES
CCCCCCCCCCCCOC(=O)Cc1ccccc1- InChIKey
BSOPSBIGIYEHGT-UHFFFAOYSA-N- Molecular formula
- C20H32O2
- Average molar mass
- 304.5 g/mol
- Monoisotopic mass
- 304.24023026
Names & identifiers
- Preferred name
- Benzeneacetic acid, dodecyl ester
- IUPAC
- dodecyl 2-phenylacetate
Names & synonyms
Benzeneacetic acid, dodecyl ester94760-90-4phenyl-acetic acid dodecyl esterdodecyl 2-phenylacetateDodecyl phenylacetateDodecyl phenylacetate #SCHEMBL27942985DTXSID20340036BSOPSBIGIYEHGT-UHFFFAOYSA-N
Database identifiers
- CAS
94760-90-4- PubChem CID
- 560983
- DTXSID
DTXSID20340036- Nikkaji
- J1.822.818A
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 256
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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