Benzyl-2,5-diacetoxybenzoate
Basic information
- CAS
67577-95-1- Standard SMILES
CC(=O)Oc1ccc(OC(C)=O)c(C(=O)OCc2ccccc2)c1- InChIKey
JWYXNLVVVOZIRG-UHFFFAOYSA-N- Molecular formula
- C18H16O6
- Average molar mass
- 328.3 g/mol
- Monoisotopic mass
- 328.09468823
Names & identifiers
- Preferred name
- Benzyl-2,5-diacetoxybenzoate
- IUPAC
- benzyl 2,5-diacetyloxybenzoate
- English name
- benzyl-2,5-diacetoxybenzoate
- Molecular formula
- C18H16O6
- Molecular weight
- 328.32
Names & synonyms
B-2,5-DabBenzyl-2,5-diacetoxybenzoatebenzyl 2,5-diacetoxybenzoate67577-95-17338O00B0KDTXSID80217896Benzoic acid, 2,5-bis(acetyloxy)-, phenylmethyl esterRefChem:118915DTXCID30140387UNII-7338O00B0KSCHEMBL11328532BENZYL 2,5-BIS(ACETYLOXY)BENZOATE
Show more names
Q27266126
Database identifiers
- CAS
67577-95-1- PubChem CID
- 196449
- DTXSID
DTXSID80217896- UNII
- 7338O00B0K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- FDA UNII
- 7338 O00B0K · 7338O00B0K
Related reactions
0 records
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Compound notes
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