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3-Methylcyclopentanone

CAT: 0572-TRC-M294720-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-M294720-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1757-42-2
Synonyms
(±)-3-Methylcyclopentanone; 1-Methyl-3-cyclopentanone; 3-Methyl-1-cyclopentanone; 3-Methylcyclopentanone; NSC 25212
Hazard Statement
Flammable liquid and vapour; UN number: UN1224; Packing Group: III
Smiles
CC1CCC(=O)C1
Molecular Formula
C6H10O
Molecular Weight
98.14
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-Methylcyclopentanone

3-methylcyclopentanone is a member of cyclopentanones.

CAS Number1757-42-2
PubChem CID15650
IUPAC Name3-methylcyclopentan-1-one
Molecular FormulaC6H10O
Molecular Weight98.14
XLogP0.8
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity86
SMILES
CC1CCC(=O)C1
InChI
InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3
InChIKey
AOKRXIIIYJGNNU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylcyclopentanone
CAS: 1757-42-2
CID: 15650
Formula: C6H10O
MW: 98.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight98.14
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass98.073164938
Monoisotopic Mass98.073164938
Topological Polar Surface Area17.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity86.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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