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3-Furanmethanol

CAT: 0572-TRC-F864003-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F864003-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4412-91-3
Synonyms
3-(Hydroxymethyl)furan; 3-Furancarbinol; 3-Furfuryl Alcohol; 3-Furylcarbinol; 3-Furylmethanol; 3-Furylmethyl Alcohol; Furan-3-ylmethanol
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
OCc1cocc1
Molecular Formula
C5H6O2
Molecular Weight
98.1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Furanmethanol
CAS Number4412-91-3
PubChem CID20449
IUPAC Namefuran-3-ylmethanol
Molecular FormulaC5H6O2
Molecular Weight98.10
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
C1=COC=C1CO
InChI
InChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2
InChIKey
STJIISDMSMJQQK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Furanmethanol
CAS: 4412-91-3
CID: 20449
Formula: C5H6O2
MW: 98.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight98.10
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass98.036779430
Monoisotopic Mass98.036779430
Topological Polar Surface Area33.4 Ų
Heavy Atom Count7
Formal Charge0
Complexity54
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