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Ninhydrin Hydrate

CAT: 1489-N8650-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:1489-N8650-01Size:5 g
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CAS Number
485-47-2
Purity
≥95%

Chemical Information

Ninhydrin

Ninhydrin is a member of the class of indanones that is indane-1,3-dione bearing two additional hydroxy substituents at position 2. It has a role as a colour indicator and a human metabolite. It is a member of indanones, a ketone hydrate, a beta-diketone and an aromatic ketone.

CAS Number485-47-2
PubChem CID10236
IUPAC Name2,2-dihydroxyindene-1,3-dione
Molecular FormulaC9H6O4
Molecular Weight178.14
XLogP0.1
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity243
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)(O)O
InChI
InChI=1S/C9H6O4/c10-7-5-3-1-2-4-6(5)8(11)9(7,12)13/h1-4,12-13H
InChIKey
FEMOMIGRRWSMCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ninhydrin
CAS: 485-47-2
CID: 10236
Formula: C9H6O4
MW: 178.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight178.14
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass178.02660867
Monoisotopic Mass178.02660867
Topological Polar Surface Area74.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity243
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