Basic information
- Standard SMILES
COc1ccc(OC)c(OC(C)=O)c1- InChIKey
CRRVWPUSJUNVFP-UHFFFAOYSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.07355886
Names & identifiers
- Preferred name
- 2,5-Dimethoxyphenyl acetate
- IUPAC
- (2,5-dimethoxyphenyl) acetate
- English name
- ACETIC ACID 2,5-DIMETHOXY-PHENYL ESTER
- Molecular formula
- C10H12O4
- Molecular weight
- 196.2
Names & synonyms
2,5-Dimethoxyphenyl acetate27257-06-3DTXSID40343100RefChem:247517DTXCID60294180ACETIC ACID 2,5-DIMETHOXY-PHENYL ESTERPhenol, 2,5-dimethoxy-, acetate2,5-Dimethoxyphenyl acetate #SCHEMBL3327344AKOS006291606DB-2508802,5-Dimethoxyphenol acetate
Show more names
Phenol, 2,5-dimethoxy-, 1-acetate
Database identifiers
- CAS
27257-06-3- PubChem CID
- 587451
- DTXSID
DTXSID40343100- Nikkaji
- J139.792C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 63 · 63-64 °C
- Boiling point
- 265.8 · 265.8±25.0 °C(Predicted)
- Density
- 1.12 · 1.120±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Linked notes
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