8-[(6-carboxy-4H-1,3-benzodioxin-8-yl)methyl]-4H-1,3-benzodioxine-6-carboxylic acid
Basic information
- CAS
610275-90-6- Standard SMILES
O=C(O)c1cc2c(c(Cc3cc(C(=O)O)cc4c3OCOC4)c1)OCOC2- InChIKey
YCTHZZOFDKVPKZ-UHFFFAOYSA-N- Molecular formula
- C19H16O8
- Average molar mass
- 372.3 g/mol
- Monoisotopic mass
- 372.08451746
Names & identifiers
- Preferred name
- 8-[(6-carboxy-4H-1,3-benzodioxin-8-yl)methyl]-4H-1,3-benzodioxine-6-carboxylic acid
- IUPAC
- 8-[(6-carboxy-4H-1,3-benzodioxin-8-yl)methyl]-4H-1,3-benzodioxine-6-carboxylic acid
Names & synonyms
610275-90-64H-1,3-Benzodioxin-6-carboxylic acid, 8,8'-methylenebis-8-[(6-carboxy-4H-1,3-benzodioxin-8-yl)methyl]-4H-1,3-benzodioxine-6-carboxylic acidDTXSID801203091AKOS0026654268,8'-Methylenedi(2H,4H-1,3-benzodioxine-6-carboxylic acid)8,8a(2)-Methylenebis[4H-1,3-benzodioxin-6-carboxylic acid]
Database identifiers
- CAS
610275-90-6- PubChem CID
- 4738151
- DTXSID
DTXSID801203091
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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