Basic information
- CAS
74449-64-2- Standard SMILES
CC(=O)Oc1cccc(O)c1O- InChIKey
CMDMZSWWXQSHAY-UHFFFAOYSA-N- Molecular formula
- C8H8O4
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.04225873
Names & identifiers
- Preferred name
- Pyrogallol 1-acetate
- IUPAC
- (2,3-dihydroxyphenyl) acetate
Names & synonyms
Pyrogallol 1-acetateUNII-04B4VQ0HZK1,2,3-Benzenetriol, 1-acetate04B4VQ0HZK74449-64-2RefChem:202794dihydroxy phenyl acetateSCHEMBL1458762Q27247639
Database identifiers
- CAS
74449-64-2- PubChem CID
- 22908613
- UNII
- 04B4VQ0HZK
- Nikkaji
- J1.026.020E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 168
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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