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3-Methylcyclopent-2-enone

CAT: 0926-FM142340-01Size: 0.025 kgDry Ice: NoHazardous: No
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CAT#:0926-FM142340-01Size:0.025 kg
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CAS Number
2758-18-1
MDL Number
MFCD00001403
Smiles
CC1=CC (=O) CC1
Molecular Formula
C6H8O
Molecular Weight
96.13 g/mol
Controlled
No

Chemical Information

3-Methyl-2-cyclopenten-1-one

3-Methyl-2-cyclopenten-1-one is a cyclic ketone.

CAS Number2758-18-1
PubChem CID17691
IUPAC Name3-methylcyclopent-2-en-1-one
Molecular FormulaC6H8O
Molecular Weight96.13
XLogP0.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity122
SMILES
CC1=CC(=O)CC1
InChI
InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3
InChIKey
CHCCBPDEADMNCI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methyl-2-cyclopenten-1-one
CAS: 2758-18-1
CID: 17691
Formula: C6H8O
MW: 96.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight96.13
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass96.057514874
Monoisotopic Mass96.057514874
Topological Polar Surface Area17.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity122
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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