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Indigo

CAT: 0931-T2847-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T2847-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
482-89-3
Target
Others
Related Pathways
Others
Purity
0.9901
Bioactivity
Indigo (Indigotin) is extracted from Indigo blue.
Smiles
O=C1C(NC=2C1=CC=CC2)=C3C(=O)C=4C(N3)=CC=CC4
Molecular Formula
C16H10N2O2
Molecular Weight
262.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Indigo

Indigo dye is a member of hydroxyindoles.

CAS Number482-89-3
PubChem CID10215
IUPAC Name2-(3-hydroxy-1H-indol-2-yl)indol-3-one
Molecular FormulaC16H10N2O2
Molecular Weight262.26
XLogP2.7
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity448
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)O
InChI
InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17,19H
InChIKey
QQILFGKZUJYXGS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indigo
CAS: 482-89-3
CID: 10215
Formula: C16H10N2O2
MW: 262.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.26
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass262.074227566
Monoisotopic Mass262.074227566
Topological Polar Surface Area65.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity448
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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