Basic information
- CAS
652161-29-0- Standard SMILES
CC1(OC(=O)CCc2ccccc2)CCOC1- InChIKey
HTAFYUJVPHNKRB-UHFFFAOYSA-N- Molecular formula
- C14H18O3
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.12559443
Names & identifiers
- Preferred name
- Benzenepropanoic acid, tetrahydro-3-methyl-3-furanyl ester
- IUPAC
- (3-methyloxolan-3-yl) 3-phenylpropanoate
Names & synonyms
652161-29-0Benzenepropanoic acid, tetrahydro-3-methyl-3-furanyl esterDTXSID90463766RefChem:325154DTXCID804145853-Methyltetrahydrofuran-3-yl 3-phenylpropanoate3-METHYLOXOLAN-3-YL 3-PHENYLPROPANOATE
Database identifiers
- CAS
652161-29-0- PubChem CID
- 11368308
- DTXSID
DTXSID90463766- Nikkaji
- J1.993.273G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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