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Pyrogallol red

CAT: 0931-TXB-00033-03Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-TXB-00033-03Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32638-88-3
Bioactivity
Pyrogallol red is a biochemical reagent.
Smiles
O=S1(OC2(C3=C1C=CC=C3)C4=CC=C(C(O)=C4OC5=C(C(O)=CC=C52)O)O)=O
Molecular Formula
C19H12O8S
Molecular Weight
400.359
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Spiro(3H-2,1-benzoxathiole-3,9'-(9H)xanthene)-3',4',5',6'-tetrol, 1,1-dioxide
CAS Number32638-88-3
PubChem CID94437
IUPAC Name1,1-dioxospiro[2,1lambda6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol
Molecular FormulaC19H12O8S
Molecular Weight400.4
XLogP2.1
Topological Polar Surface Area142
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Heavy Atom Count28
Formal Charge0
Complexity690
SMILES
C1=CC=C2C(=C1)C3(C4=C(C(=C(C=C4)O)O)OC5=C3C=CC(=C5O)O)OS2(=O)=O
InChI
InChI=1S/C19H12O8S/c20-12-7-5-10-17(15(12)22)26-18-11(6-8-13(21)16(18)23)19(10)9-3-1-2-4-14(9)28(24,25)27-19/h1-8,20-23H
InChIKey
KUQNCHZOCSYKOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spiro(3H-2,1-benzoxathiole-3,9'-(9H)xanthene)-3',4',5',6'-tetrol, 1,1-dioxide
CAS: 32638-88-3
CID: 94437
Formula: C19H12O8S
MW: 400.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.4
XLogP32.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass400.02528851
Monoisotopic Mass400.02528851
Topological Polar Surface Area142 Ų
Heavy Atom Count28
Formal Charge0
Complexity690
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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