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Alpha-methylene-gamma-valerolactone

CAT: 0127-OR919340-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR919340-01Size:1 g
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CAS Number
62873-16-9
MDL Number
MFCD06797118
Purity
97%
Smiles
CC1CC(=C)C(=O)O1
Additionnal Information
Stabilised with HQ

Chemical Information

gamma-Methyl-alpha-methylene-gamma-butyrolactone
CAS Number62873-16-9
PubChem CID99939
IUPAC Name5-methyl-3-methylideneoxolan-2-one
Molecular FormulaC6H8O2
Molecular Weight112.13
XLogP1.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity137
SMILES
CC1CC(=C)C(=O)O1
InChI
InChI=1S/C6H8O2/c1-4-3-5(2)8-6(4)7/h5H,1,3H2,2H3
InChIKey
KYLUHLJIAMFYKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of gamma-Methyl-alpha-methylene-gamma-butyrolactone
CAS: 62873-16-9
CID: 99939
Formula: C6H8O2
MW: 112.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.13
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass112.052429494
Monoisotopic Mass112.052429494
Topological Polar Surface Area26.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity137
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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