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1H-Inden-2 (3H) -one

CAT: 0013-GTR19279666Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19279666Size:1 g
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Description
1H-Inden-2 (3H) -one is an indene derivative widely used in biochemical experiments and drug synthesis research.
CAS Number
615-13-4
Smiles
O=C1CC=2C=CC=CC2C1
Molecular Formula
C9H8O
Molecular Weight
132.16
Notes
For research use only.

Chemical Information

2-Indanone

Indan-2-one is an indanone with an oxo substituent at position 2. It is a metabolite of indane. It has a role as a xenobiotic metabolite.

CAS Number615-13-4
PubChem CID11983
IUPAC Name1,3-dihydroinden-2-one
Molecular FormulaC9H8O
Molecular Weight132.16
XLogP1.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity135
SMILES
C1C(=O)CC2=CC=CC=C21
InChI
InChI=1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2
InChIKey
UMJJFEIKYGFCAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Indanone
CAS: 615-13-4
CID: 11983
Formula: C9H8O
MW: 132.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.16
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass132.057514874
Monoisotopic Mass132.057514874
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity135
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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