AG003ESX

528-58-5 | 2-(3,4-Dihydroxyphenyl)-3,5,7-Trihydroxychromenylium Chloride

AG003ESX

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CAS Number	528-58-5
Catalog Number	AG003ESX(AGN-PC-0JL8CK)
Chemical Name	2-(3,4-Dihydroxyphenyl)-3,5,7-Trihydroxychromenylium Chloride
EC Number	208-438-6
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
MDL Number	MFCD00017582
Molecular Formula	C15H11ClO6
Molecular Weight	322.6972
NSC Number	407291
SMILES	OC1=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O)C=C2C(O)=C1.[Cl-]
UNII	2G4283G96U
Synonyms	1-benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride, 1-benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride (1:1), 2-(3,4-dihydroxyphenyl) chromenylium-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride, 3,3',4',5,7-pentahydroxy-2-phenylbenzopyrylium chloride, 3,5,7,3',4'-pentahydroxyflavylium, cyanidin, cyanidin cation, cyanidin chloride, cyanidin ion, cyanidine, cyanidol, cyanidol chloride, flavylium, 3,3',4',5,7-pentahydroxy-, flavylium, 3,3',4',5,7-pentahydroxy-, chloride, IdB 1027, IdB-1027, Cyanidin chloride, 528-58-5, Gastrotelos, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxychromenylium chloride, Cyanidol chloride, IdB-1027, Idb 1027, UNII-2G4283G96U, 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride, 3,3',4',5,7-Pentahydroxyflavylium chloride, EINECS 208-438-6, NSC 407291, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride, 3,3',4',5,7-Pentahydroxy-2-phenylbenzopyrylium chloride, CHEMBL511367, 3,3'4',5,7-Pentahydroxyflavylium chloride, MFCD00017582, NSC407291, 2G4283G96U, Flavylium, 3,3'4',5,7-pentahydroxy-, chloride, Q-100600, 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol chloride, 3,3',4,5,7-Pentahydroxyflavylium chloride, Cyanidin-Chloride, Cyanidin hydrochloride, AC1Q1SPF, AC1L29CD, C15H11ClO6, SCHEMBL156277, ARK090, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromeniumchlorid, BCP24007, Cyanidin chloride, >=95% (HPLC), Cyanidin chloride, analytical standard, AKOS016010264, NSC-407291, 3,4',5,7-Pentahydroxyflavylium chloride, AK114678, AN-45589, LS-69064, AB0019704, Cyanidin chloride solution, 20 mM in DMSO, FT-0632305, N2525, ST24039235, V0166, A12201, Flavylium,3',4',5,7-pentahydroxy-, chloride, C-57807, 3,4',5,7-Pentahydroxy-2-phenylbenzopyrylium chloride, UNII-R911H793SU component COAWNPJQKJEHPG-UHFFFAOYSA-N, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenium chloride, 1-Benzopyrylium,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride, 2-(3,4-dihydroxy-phenyl)-3,5,7-trihydroxy-chromenylium chloride, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1lambda-chromen-1-ylium, 3,3 inverted exclamation marka,4,5,7-Pentahydroxyflavylium chloride, Cyanidin chloride, European Pharmacopoeia (EP) Reference Standard, Cyanidin chloride, United States Pharmacopeia (USP) Reference Standard, 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride (9CI), 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1$l;{4}-chromen-1-ylium chloride, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenylium chloride solution, 20 mM in DMSO, Cyanidin, Cyanidol, Cyanidine, cyanidin cation, cyanidin ion, CyanidinChloride, D0O8LW, Cyanidin chloride monohydrate, C15H11O6.Cl, C15-H11-O6.Cl, CID68247, AR-1C7084, 3,5,7,3',4'-Pentahydroxyflavylium, ACN-047131, Flavylium, 3,3',4',5,7-pentahydroxy-, Oc1cc2c(O)cc(O)cc2oc1c3ccc(O)c(O)c3, 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol, C017154, Flavylium, 3,3',4',5,7-pentahydroxy-, chloride, 2-(3,4-dihydroxyphenyl) chromenylium-3,5,7-triol, 3,3',4',5,7-Pentahydroxyflavylium chloride monohydrate, 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride (1:1), 1-benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride (1:1), 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride monohydrate, 5395-50-6,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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