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2-Methylcyclopent-2-enone

CAT: 0931-TN9527-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9527-01Size:5 mg
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CAS Number
1120-73-6
Target
Others
Related Pathways
Others
Bioactivity
2-Methylcyclopent-2-enone is a cyclic ketone widely used in biochemical experiments and drug synthesis research.
Smiles
O=C1C(=CCC1)C
Molecular Formula
C6H8O
Molecular Weight
96.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Methyl-2-cyclopenten-1-one

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

CAS Number1120-73-6
PubChem CID14266
IUPAC Name2-methylcyclopent-2-en-1-one
Molecular FormulaC6H8O
Molecular Weight96.13
XLogP0.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity122
SMILES
CC1=CCCC1=O
InChI
InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h3H,2,4H2,1H3
InChIKey
ZSBWUNDRDHVNJL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-2-cyclopenten-1-one
CAS: 1120-73-6
CID: 14266
Formula: C6H8O
MW: 96.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight96.13
XLogP30.9
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