Basic information
- CAS
830320-57-5- Standard SMILES
CC(=O)O.Cc1cc(OC[C@H]2CO2)c(C)c(C)c1O- InChIKey
NIQYRVHLGOJTEJ-HNCPQSOCSA-N- Molecular formula
- C14H20O5
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.13107373
Names & identifiers
- Preferred name
- acetic acid;2,3,6-trimethyl-4-[[(2R)-oxiran-2-yl]methoxy]phenol
- IUPAC
- acetic acid;2,3,6-trimethyl-4-[[(2R)-oxiran-2-yl]methoxy]phenol
Names & synonyms
830320-57-5DTXSID00835995Acetic acid--2,3,6-trimethyl-4-{[(2R)-oxiran-2-yl]methoxy}phenol (1/1)
Database identifiers
- CAS
830320-57-5- PubChem CID
- 71416618
- DTXSID
DTXSID00835995
Properties
Computed structural properties
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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