Indigo

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Catalog Number
ACM482893
Product Name
Indigo
Structure
Structure
CAS
482-89-3
Category
Vat Dyes
Synonyms
Delta(2,2’)-bipseudoindoxyl
IUPAC Name
2-(3-Hydroxy-1H-indol-2-yl)indol-3-one
Molecular Weight
262.26
Molecular Formula
C16H10N2O2
Canonical 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
InChI Key
QQILFGKZUJYXGS-UHFFFAOYSA-N
Boiling Point
405.51 °C
Melting Point
>300 °C (lit.)
Density
1.01 g/ml
Appearance
Blue powder
Complexity
448
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Exact Mass
262.074227566
Hazard Statements
Xi,Xn
Heavy Atom Count
20
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
2
Monoisotopic Mass
262.074227566
Physical State
Solid
Rotatable Bond Count
1
Safety Description
26-36
Supplemental Hazard Statements
H373-H315-H319
Symbol
GHS08,GHS07
Topological Polar Surface Area
65.4 Ų
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