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3-Indoxyl-3-acetate

CAT: 0024-sc-216470ASize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-216470ASize:1 g
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CAS Number
608-08-2

Chemical Information

Indoxyl acetate

Indoxyl acetate is a member of indoles.

CAS Number608-08-2
PubChem CID11841
IUPAC Name1H-indol-3-yl acetate
Molecular FormulaC10H9NO2
Molecular Weight175.18
XLogP2
Topological Polar Surface Area42.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity205
SMILES
CC(=O)OC1=CNC2=CC=CC=C21
InChI
InChI=1S/C10H9NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,11H,1H3
InChIKey
JBOPQACSHPPKEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indoxyl acetate
CAS: 608-08-2
CID: 11841
Formula: C10H9NO2
MW: 175.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.18
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass175.063328530
Monoisotopic Mass175.063328530
Topological Polar Surface Area42.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity205
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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CatalogName
GK2261-1g3-Indoxyl acetate
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FA52314-015-Bromo-3-indoxyl-3-acetate
I02000-01Indoxyl acetate
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