2,5-Bis(acetyloxy)benzoic acid
Basic information
- CAS
1084-96-4- Standard SMILES
CC(=O)Oc1ccc(OC(C)=O)c(C(=O)O)c1- InChIKey
ATWGXJGRRXIETI-UHFFFAOYSA-N- Molecular formula
- C11H10O6
- Average molar mass
- 238.19 g/mol
- Monoisotopic mass
- 238.04773803
Names & identifiers
- Preferred name
- 2,5-Bis(acetyloxy)benzoic acid
- IUPAC
- 2,5-diacetyloxybenzoic acid
Names & synonyms
2,5-bis(acetyloxy)benzoic acid1084-96-4Benzoic acid,2,5-bis(acetyloxy)-2,5-diacetyloxybenzoic acid2,5-DIACETOXYBENZOIC ACIDNSC2807SCHEMBL344505GENTISTIC ACID, DIACETATEDTXSID90277547NSC 2807NSC-2807DS-010391
Show more names
E87485
Database identifiers
- CAS
1084-96-4- PubChem CID
- 220285
- DTXSID
DTXSID90277547- Nikkaji
- J995.573I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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