5-(Benzo[d][1,3]dioxole-5-carbonyl)furan-2-carboxylic acid
Basic information
- CAS
1399657-50-1- Standard SMILES
O=C(O)c1ccc(C(=O)c2ccc3c(c2)OCO3)o1- InChIKey
HRDSMAFMPXQOFF-UHFFFAOYSA-N- Molecular formula
- C13H8O6
- Average molar mass
- 260.2 g/mol
- Monoisotopic mass
- 260.03208797
Names & identifiers
- Preferred name
- 5-(Benzo[d][1,3]dioxole-5-carbonyl)furan-2-carboxylic acid
- IUPAC
- 5-(1,3-benzodioxole-5-carbonyl)furan-2-carboxylic acid
Names & synonyms
1399657-50-15-(Benzo[d][1,3]dioxole-5-carbonyl)furan-2-carboxylic acid5-(Benzo[d][1,3]dioxole-5-carbonyl)furan-2-carboxylicacid5-(Benzo[1,3]dioxole-5-carbonyl)-furan-2-carboxylic acidDTXSID801195947SB618842-Furancarboxylic acid, 5-(1,3-benzodioxol-5-ylcarbonyl)-5-(2H-1,3-Benzodioxole-5-carbonyl)furan-2-carboxylic acid
Database identifiers
- CAS
1399657-50-1- PubChem CID
- 97034692
- DTXSID
DTXSID801195947
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 381
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Compound notes
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