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3,3′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[6-hydroxy-5-methylbenzoic acid]

3,3′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[6-hydroxy-5-methylbenzoic acid] structure

CAS No:
2588-24-1
Formula:
C23H18O9S
Chemical Name:
3,3′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[6-hydroxy-5-methylbenzoic acid]
Synonyms:
Benzoic acid,3,3′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[6-hydroxy-5-methyl-;2,3-Cresotic acid,5-[α-(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)-o-sulfobenzyl]-;Benzoic acid,3,3′-(3H-2,1-benzoxathiol-3-ylidene)bis[6-hydroxy-5-methyl-,S,S-dioxide;3H-2,1-Benzoxathiole,benzoic acid deriv.;3,3′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[6-hydroxy-5-methylbenzoic acid];Eriochrome Cyanine R free acid;Solochrome Cyanine R free acid;Eriochrome Cyanine R monoanion;Eriochrome cyanine R free form;16976-70-8;78278-12-3;84449-45-6;93964-60-4;368878-66-4;732969-75-4

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3,3′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[6-hydroxy-5-methylbenzoic acid] Basic Attributes

Molecular Weight：

470.44900

Exact Mass：

470.45

EC Number：

219-972-4

DSSTox ID：

DTXSID50180523

Characteristics

PSA：

166.81000

XLogP3：

4.20260

Density：

1.581g/cm3

Boiling Point：

699.2ºC

Flash Point：

376.6ºC

Refractive Index：

1.693

Vapor Pressure：

1.61E-20mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:470.4
XLogP3:3.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:470.06715332
Monoisotopic Mass:470.06715332
Topological Polar Surface Area:167
Heavy Atom Count:33
Complexity:839
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,3′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[6-hydroxy-5-methylbenzoic acid]

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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