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TP-4748

CAT: 0931-T9250-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T9250-03Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1150114-62-7
Target
Others
Related Pathways
Others
Purity
0.9903
Bioactivity
TP-4748 is a biochemical.
Smiles
CCOC(=O)c1occc1B(O)O
Molecular Formula
C7H9BO5
Molecular Weight
183.95
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2-(Ethoxycarbonyl)furan-3-yl)boronic acid
CAS Number1150114-62-7
PubChem CID46739469
IUPAC Name(2-ethoxycarbonylfuran-3-yl)boronic acid
Molecular FormulaC7H9BO5
Molecular Weight183.96
Topological Polar Surface Area79.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity184
SMILES
B(C1=C(OC=C1)C(=O)OCC)(O)O
InChI
InChI=1S/C7H9BO5/c1-2-12-7(9)6-5(8(10)11)3-4-13-6/h3-4,10-11H,2H2,1H3
InChIKey
HKNNWKBXXSBMED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-(Ethoxycarbonyl)furan-3-yl)boronic acid
CAS: 1150114-62-7
CID: 46739469
Formula: C7H9BO5
MW: 183.96
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight183.96
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass184.0543035
Monoisotopic Mass184.0543035
Topological Polar Surface Area79.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity184
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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