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4-(2-Hydroxyethyl)phenylboronic acid

CAT: 0572-TRC-H949608-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H949608-1GSize:1 g
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CAS Number
137756-89-9
Hazard Statement
No Data Available
Smiles
OCCc1ccc(cc1)B(O)O
Molecular Formula
C8 H11 B O3
Molecular Weight
165.982
InChI
InChI=1S/C8H11BO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10-12H,5-6H2
Additionnal Information
IUPAC name: [4-(2-hydroxyethyl)phenyl]boronic acid
Shipping Conditions
Room Temperature

Chemical Information

4-(2-Hydroxyethyl)phenylboronic acid
CAS Number137756-89-9
PubChem CID10176286
IUPAC Name[4-(2-hydroxyethyl)phenyl]boronic acid
Molecular FormulaC8H11BO3
Molecular Weight165.98
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity121
SMILES
B(C1=CC=C(C=C1)CCO)(O)O
InChI
InChI=1S/C8H11BO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10-12H,5-6H2
InChIKey
KQXBZMDDTQEGMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Hydroxyethyl)phenylboronic acid
CAS: 137756-89-9
CID: 10176286
Formula: C8H11BO3
MW: 165.98
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.98
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass166.0801244
Monoisotopic Mass166.0801244
Topological Polar Surface Area60.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity121
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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Alternative Products

CatalogName
428647-014- (2-Hydroxyethyl) phenylboronic acid
428418-014- (1-Hydroxyethyl) phenylboronic acid
422488-013- (2-Hydroxyethyl) phenylboronic acid
abx188408-014-(4-(2-Hydroxyethyl)Piperazinocarbonyl)Phenylboronic Acid Hcl
428963-014- (4- (2-Hydroxyethyl) piperazinocarbonyl) phenylboronic acid HCl
UAA20651-012- (2-Hydroxyethyl) phenylboronic acid dehydrated
413203-012- (2-Hydroxyethyl) phenylboronic acid, dehydrated
sc-2986983- (1-Hydroxyethyl) phenylboronic acid
422734-013- (4- (2-Hydroxyethyl) piperazine-1-carbonyl) phenylboronic acid, HCl
abx188293-013-(4-(2-Hydroxyethyl)Piperazine-1-Carbonyl)Phenylboronic Acid, Hcl

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