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Trans-2,3-Dihydro-3-hydroxyeuparin

CAT: 0931-TN5161Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN5161Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
64185-57-5
Target
Others
Related Pathways
Others
Bioactivity
Trans-2,3-Dihydro-3-hydroxyeuparin is a natural product for research related to life sciences. The catalog number is TN5161 and the CAS number is 64185-57-5.
Smiles
CC(=C)[C@H]1Oc2cc(O)c(cc2[C@@H]1O)C(C)=O
Molecular Formula
C13H14O4
Molecular Weight
234.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

trans-2,3-Dihydro-3-hydroxyeuparin
CAS Number64185-57-5
PubChem CID124350709
IUPAC Name1-[(2R,3S)-3,6-dihydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]ethanone
Molecular FormulaC13H14O4
Molecular Weight234.25
XLogP2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity338
SMILES
CC(=C)[C@@H]1[C@H](C2=CC(=C(C=C2O1)O)C(=O)C)O
InChI
InChI=1S/C13H14O4/c1-6(2)13-12(16)9-4-8(7(3)14)10(15)5-11(9)17-13/h4-5,12-13,15-16H,1H2,2-3H3/t12-,13+/m0/s1
InChIKey
KISFKKYLFKRYME-QWHCGFSZSA-N
Chemical Structure
2D Structure
2D structure of trans-2,3-Dihydro-3-hydroxyeuparin
CAS: 64185-57-5
CID: 124350709
Formula: C13H14O4
MW: 234.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.25
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass234.08920892
Monoisotopic Mass234.08920892
Topological Polar Surface Area66.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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