Basic information
- CAS
40870-62-0- Standard SMILES
COc1cc(COC(C)=O)c(OC)c(C)c1C- InChIKey
CCELRWHYVSHVSI-UHFFFAOYSA-N- Molecular formula
- C13H18O4
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.12050905
Names & identifiers
- Preferred name
- 2,5-Dimethoxy-3,4-dimethylbenzenemethanol acetate
- IUPAC
- (2,5-dimethoxy-3,4-dimethylphenyl)methyl acetate
- English name
- 2,5-Dimethoxy-3,4-dimethylbenzenemethanol acetate
- Molecular formula
- C13H18O4
- Molecular weight
- 238.28
Names & synonyms
40870-62-02,5-Dimethoxy-3,4-dimethylbenzenemethanol acetate(2,5-dimethoxy-3,4-dimethylphenyl)methyl acetateSCHEMBL9817705Benzenemethanol, 2,5-dimethoxy-3,4-dimethyl-, acetateDTXSID30961276CCELRWHYVSHVSI-UHFFFAOYSA-N5-acetoxymethyl-1,4-dimethoxy-2,3-dimethylbenzeneReaxys ID: 2283991Benzenemethanol, 2,5-dimethoxy-3,4-dimethyl-, 1-acetate
Database identifiers
- CAS
40870-62-0- PubChem CID
- 148394
- DTXSID
DTXSID30961276
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 325.1 · 325.1±37.0 °C(Predicted)
- Density
- 1.069 · 1.069±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
2 records
Compound notes
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