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Furan-3-methanol-d2

CAT: 0572-TRC-F864002-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F864002-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1216686-59-7
Hazard Statement
No Data Available
Smiles
[2H]C([2H])(O)c1cocc1
Molecular Formula
C5 2H2 H4 O2
Molecular Weight
100.11
InChI
InChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2/i3D2
Additionnal Information
IUPAC name: dideuterio(furan-3-yl)methanol
Shipping Conditions
Room Temperature

Chemical Information

Furan-3-methanol-d2
CAS Number1216686-59-7
PubChem CID45039315
IUPAC Namedideuterio(furan-3-yl)methanol
Molecular FormulaC5H6O2
Molecular Weight100.11
XLogP0.3
Topological Polar Surface Area33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity54
SMILES
[2H]C([2H])(C1=COC=C1)O
InChI
InChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2/i3D2
InChIKey
STJIISDMSMJQQK-SMZGMGDZSA-N
Chemical Structure
2D Structure
2D structure of Furan-3-methanol-d2
CAS: 1216686-59-7
CID: 45039315
Formula: C5H6O2
MW: 100.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight100.11
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass100.049332922
Monoisotopic Mass100.049332922
Topological Polar Surface Area33.4 Ų
Heavy Atom Count7
Formal Charge0
Complexity54
Isotope Atom Count2
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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