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Furan-d4

CAT: 1596-AR-F11068-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F11068-06Size:250 Units
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CAS Number
6142-90-1
Molecular Formula
C4D4O
Molecular Weight
72.10
API Name
Furan

Chemical Information

Furan-d4
CAS Number6142-90-1
PubChem CID2733420
IUPAC Name2,3,4,5-tetradeuteriofuran
Molecular FormulaC4H4O
Molecular Weight72.10
XLogP1.3
Topological Polar Surface Area13.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity22
SMILES
[2H]C1=C(OC(=C1[2H])[2H])[2H]
InChI
InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H/i1D,2D,3D,4D
InChIKey
YLQBMQCUIZJEEH-RHQRLBAQSA-N
Chemical Structure
2D Structure
2D structure of Furan-d4
CAS: 6142-90-1
CID: 2733420
Formula: C4H4O
MW: 72.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight72.10
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass72.051321731
Monoisotopic Mass72.051321731
Topological Polar Surface Area13.1 Ų
Heavy Atom Count5
Formal Charge0
Complexity22.8
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes