Basic information
- CAS
412332-88-8- Standard SMILES
Cc1c(O)cc(O)cc1[C@H](C)[C@@H](C)OC=O- InChIKey
XUZKAVLWQWBRNE-VXNVDRBHSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.10485899
Names & identifiers
- Preferred name
- (2R,3S)-3-(3,5-Dihydroxy-2-methylphenyl)butan-2-yl formate
- IUPAC
- [(2R,3S)-3-(3,5-dihydroxy-2-methylphenyl)butan-2-yl] formate
Names & synonyms
412332-88-8(2R,3S)-3-(3,5-Dihydroxy-2-methylphenyl)butan-2-yl formateDTXSID10785634
Database identifiers
- CAS
412332-88-8- PubChem CID
- 71361990
- DTXSID
DTXSID10785634- Nikkaji
- J1.653.153G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- 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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