Basic information
- CAS
4647-35-2- Standard SMILES
Cc1ccc(C(=O)OCC2CCCO2)cc1- InChIKey
RRMVAGSWWRFHFY-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- Tetrahydro-2-furanylmethyl 4-methylbenzoate
- IUPAC
- oxolan-2-ylmethyl 4-methylbenzoate
Names & synonyms
Tetrahydro-2-furanylmethyl 4-methylbenzoate4647-35-2DTXSID00284646RefChem:384130DTXCID80235797(oxolan-2-yl)methyl 4-methylbenzoateRRMVAGSWWRFHFY-UHFFFAOYSA-NNSC38137NSC-38137AKOS017089077p-Toluic acid, 2-tetrahydrofurylmethyl esterTetrahydro-2-furanylmethyl 4-methylbenzoate #
Database identifiers
- CAS
4647-35-2- PubChem CID
- 236089
- DTXSID
DTXSID00284646- Nikkaji
- J2.162.310E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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