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1,3-Indanedione

CAT: 0862-GK6085-25gSize: 25 gDry Ice: NoHazardous: No
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CAT#:0862-GK6085-25gSize:25 g
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CAS Number
606-23-5
EC Number
210-109-7
MDL Number
MFCD00003779
HS Code
29143900
Purity
97.00%
Molecular Formula
C9H6O2
Molecular Weight
146.15
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

1,3-Indandione

1,3-indandione is a member of the class of indanones that is indane in which the hydrogens at positions 2 and 4 have been replaced by oxo groups. It is a member of indanones, a beta-diketone and an aromatic ketone.

CAS Number606-23-5
PubChem CID11815
IUPAC Nameindene-1,3-dione
Molecular FormulaC9H6O2
Molecular Weight146.14
XLogP0.6
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity186
SMILES
C1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C9H6O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4H,5H2
InChIKey
UHKAJLSKXBADFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Indandione
CAS: 606-23-5
CID: 11815
Formula: C9H6O2
MW: 146.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.14
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass146.036779430
Monoisotopic Mass146.036779430
Topological Polar Surface Area34.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity186
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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