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Bisfuranol Impurity 1

CAT: 1596-AR-B07363-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B07363-02Size:25 Units
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CAS Number
156928-10-8
Molecular Formula
C6H10O3
Molecular Weight
130.14
API Name
Bisfuranol

Chemical Information

(3s,3ar,6as)-Hexahydrofuro[2,3-B]furan-3-Ol
CAS Number156928-10-8
PubChem CID10374488
IUPAC Name(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
Molecular FormulaC6H10O3
Molecular Weight130.14
XLogP-0.4
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity115
SMILES
C1CO[C@@H]2[C@H]1[C@@H](CO2)O
InChI
InChI=1S/C6H10O3/c7-5-3-9-6-4(5)1-2-8-6/h4-7H,1-3H2/t4-,5-,6+/m1/s1
InChIKey
RCDXYCHYMULCDZ-PBXRRBTRSA-N
Chemical Structure
2D Structure
2D structure of (3s,3ar,6as)-Hexahydrofuro[2,3-B]furan-3-Ol
CAS: 156928-10-8
CID: 10374488
Formula: C6H10O3
MW: 130.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight130.14
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass130.062994177
Monoisotopic Mass130.062994177
Topological Polar Surface Area38.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity115
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes