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TP-4748

CAT: 0804-HY-W050216-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W050216-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TP-4748 is a building block in the chemical synthesis.
CAS Number
1150114-62-7
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Purity
97
Smiles
O=C(OCC)C1=C(C=CO1)B(O)O
Molecular Formula
C7H9BO5
Molecular Weight
183.95
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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