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3,4-Furandimethanol

CAT: 0572-TRC-F863735-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-F863735-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14496-24-3
Synonyms
3,4-Furandimethanol
Hazard Statement
No Data Available
Smiles
OCc1cocc1CO
Molecular Formula
C6 H8 O3
Molecular Weight
128.126
InChI
InChI=1S/C6H8O3/c7-1-5-3-9-4-6(5)2-8/h3-4,7-8H,1-2H2
Additionnal Information
IUPAC name: [4-(hydroxymethyl)furan-3-yl]methanol
Shipping Conditions
Room Temperature

Chemical Information

Furan-3,4-diyldimethanol
CAS Number14496-24-3
PubChem CID84477
IUPAC Name[4-(hydroxymethyl)furan-3-yl]methanol
Molecular FormulaC6H8O3
Molecular Weight128.13
XLogP-0.8
Topological Polar Surface Area53.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity74
SMILES
C1=C(C(=CO1)CO)CO
InChI
InChI=1S/C6H8O3/c7-1-5-3-9-4-6(5)2-8/h3-4,7-8H,1-2H2
InChIKey
RNKXUVJWMOMTHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Furan-3,4-diyldimethanol
CAS: 14496-24-3
CID: 84477
Formula: C6H8O3
MW: 128.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.13
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass128.047344113
Monoisotopic Mass128.047344113
Topological Polar Surface Area53.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity74.4
Isotope Atom Count0
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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