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Sodium Cromoglicate Impurity 16

CAT: 1299-RM-C182716-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C182716-01Size:10 mg
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CAS Number
149992-30-3
Synonyms
5- (3- ((2- (ethoxycarbonyl) -4-oxo-4H-chromen-5-yl) oxy) -2-hydroxypropoxy) -4-oxo-4H-chromene-2-carboxylic acid
Molecular Formula
C25H20O11
Molecular Weight
496.42
Target Alternative Name
Sodium Cromoglicate
Product Name Synonym
5- (3- ((2- (ethoxycarbonyl) -4-oxo-4H-chromen-5-yl) oxy) -2-hydroxypropoxy) -4-oxo-4H-chromene-2-carboxylic acid

Chemical Information

5-(3-((2-(Ethoxycarbonyl)-4-oxo-4H-chromen-5-yl)oxy)-2-hydroxypropoxy)-4-oxo-4H-chromene-2-carboxylic acid
CAS Number149992-30-3
PubChem CID101647913
IUPAC Name5-[3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid
Molecular FormulaC25H20O11
Molecular Weight496.4
XLogP2.6
Topological Polar Surface Area155
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity938
SMILES
CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)O
InChI
InChI=1S/C25H20O11/c1-2-32-25(31)21-10-15(28)23-17(6-4-8-19(23)36-21)34-12-13(26)11-33-16-5-3-7-18-22(16)14(27)9-20(35-18)24(29)30/h3-10,13,26H,2,11-12H2,1H3,(H,29,30)
InChIKey
QMWIMHLPICQPBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(3-((2-(Ethoxycarbonyl)-4-oxo-4H-chromen-5-yl)oxy)-2-hydroxypropoxy)-4-oxo-4H-chromene-2-carboxylic acid
CAS: 149992-30-3
CID: 101647913
Formula: C25H20O11
MW: 496.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.4
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass496.10056145
Monoisotopic Mass496.10056145
Topological Polar Surface Area155 Ų
Heavy Atom Count36
Formal Charge0
Complexity938
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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