Flavodic Acid
Basic information
- CAS
37470-13-6- Standard SMILES
O=C(O)COc1cc(OCC(=O)O)c2c(=O)cc(-c3ccccc3)oc2c1- InChIKey
IGCSSLDDCHLXGL-UHFFFAOYSA-N- Molecular formula
- C19H14O8
- Average molar mass
- 370.3 g/mol
- Monoisotopic mass
- 370.0688674
Overview
Flavodic acid is a member of flavones.
Names & identifiers
- Preferred name
- Flavodic Acid
- IUPAC
- 2-[5-(carboxymethoxy)-4-oxo-2-phenylchromen-7-yl]oxyacetic acid
- English name
- flavodic acid
- Molecular formula
- C19H14O8
- Molecular weight
- 370.31
Names & synonyms
Flavodic Acid37470-13-6Acido flavodicoAcide flavodiqueAcidum flavodicum2Z9V171UEMDTXSID90190909RefChem:140645DTXCID801134002-phenyl-gamma-benzopyrone-5,7-dioxyacetate2-phenyl-5,7-dioxyacetate-benzo-gamma-pyrone253-517-0
Show more names
Flavodic2,2'-((4-oxo-2-phenyl-4H-chromene-5,7-diyl)bis(oxy))diacetic acid2,2'-[(4-Oxo-2-phenyl-4H-1-benzopyran-5,7-diyl)bisoxy]diacetic acidAcetic acid, 2-[[5-(carboxymethoxy)-4-oxo-2-phenyl-4H-1-benzopyran-7-yl]oxy]-
Flavodic acid [INN:DCF]2-[5-(carboxymethoxy)-4-oxo-2-phenylchromen-7-yl]oxyacetic acidFlavodinsaeureFlavodic acid (INN)FLAVODIC ACID [INN]((4-Oxo-2-phenyl-4H-1-benzopyran-5,7-diyl)dioxy)diacetic acid2,2'-[(4-Oxo-2-phenyl-4H-1-benzopyran-5,7-diyl)bis(oxy)]diacetic acidUNII-2Z9V171UEM
Database identifiers
- CAS
37470-13-6- PubChem CID
- 71944
- DTXSID
DTXSID90190909- ChEMBL
CHEMBL2107394- ChEBI
CHEBI:135561- UNII
- 2Z9V171UEM
- EC Number
- 253-517-0
- Nikkaji
- J19.450F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 607
Physicochemical properties
- Boiling point
- 670.6 · 670.6±55.0 °C(Predicted)
- Density
- 1.483 · 1.483±0.06 g/cm3(Predicted)
- pka
- 2.87 · 2.87±0.10(Predicted)
- FDA UNII
- 2 Z9V171UEM · 2Z9V171UEM
Chemistry & industry
Additional notes
DefinitionChEBI: Flavodic acid is a member of flavones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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