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α-Bromo-γ-butyrolactone

CAT: 0024-sc-219468Size: 100 gDry Ice: NoHazardous: No
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CAT#:0024-sc-219468Size:100 g
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CAS Number
5061-21-2

Chemical Information

2(3H)-Furanone, 3-bromodihydro-
CAS Number5061-21-2
PubChem CID95463
IUPAC Name3-bromooxolan-2-one
Molecular FormulaC4H5BrO2
Molecular Weight164.99
XLogP1.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity91
SMILES
C1COC(=O)C1Br
InChI
InChI=1S/C4H5BrO2/c5-3-1-2-7-4(3)6/h3H,1-2H2
InChIKey
LFJJGHGXHXXDFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2(3H)-Furanone, 3-bromodihydro-
CAS: 5061-21-2
CID: 95463
Formula: C4H5BrO2
MW: 164.99
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.99
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass163.94729
Monoisotopic Mass163.94729
Topological Polar Surface Area26.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity91.7
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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