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528-58-5

528-58-5 | 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxychromenylium chloride

CAS No: 528-58-5 Catalog No: AG003ESX MDL No:MFCD00017582

Product Description

Catalog Number:
AG003ESX
Chemical Name:
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxychromenylium chloride
CAS Number:
528-58-5
Molecular Formula:
C15H11ClO6
Molecular Weight:
322.6972
MDL Number:
MFCD00017582
IUPAC Name:
2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol;chloride
InChI:
InChI=1S/C15H10O6.ClH/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-6H,(H4-,16,17,18,19,20);1H
InChI Key:
COAWNPJQKJEHPG-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1ccc(c(c1)O)O.[Cl-]
EC Number:
208-438-6
UNII:
2G4283G96U
NSC Number:
407291

Properties

Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.024g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
322.697g/mol
Monoisotopic Mass:
322.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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