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4- (Hydroxymethyl) benzeneboronic acid

CAT: 0013-GTR19245601-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19245601-01Size:10 g
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Description
4- (Hydroxymethyl) benzeneboronic acid is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
59016-93-2
Smiles
OCC1=CC=C (B (O) O) C=C1
Molecular Formula
C7H9BO3
Molecular Weight
151.956
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(Hydroxymethyl)benzeneboronic acid
CAS Number59016-93-2
PubChem CID2734706
IUPAC Name[4-(hydroxymethyl)phenyl]boronic acid
Molecular FormulaC7H9BO3
Molecular Weight151.96
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity110
SMILES
B(C1=CC=C(C=C1)CO)(O)O
InChI
InChI=1S/C7H9BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9-11H,5H2
InChIKey
PZRPBPMLSSNFOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Hydroxymethyl)benzeneboronic acid
CAS: 59016-93-2
CID: 2734706
Formula: C7H9BO3
MW: 151.96
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.96
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass152.0644743
Monoisotopic Mass152.0644743
Topological Polar Surface Area60.7 Ų
Heavy Atom Count11
Formal Charge0
Complexity110
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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