3-Hydroxyphenylboronic acid

CAT: 1489-H2430-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:1489-H2430-01Size:1 g

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CAS Number

87199-18-6

Purity

0.98

Chemical Information

(3-hydroxyphenyl)boronic Acid

CAS Number	87199-18-6
PubChem CID	2734359
IUPAC Name	(3-hydroxyphenyl)boronic acid
Molecular Formula	C6H7BO3
Molecular Weight	137.93
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	107

SMILES

B(C1=CC(=CC=C1)O)(O)O

InChI

InChI=1S/C6H7BO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8-10H

InChIKey

WFWQWTPAPNEOFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 87199-18-6

CID: 2734359

Formula: C6H7BO3

MW: 137.93

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	137.93
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	138.0488242
Monoisotopic Mass	138.0488242
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	107
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
D4881-01	3,3-Difluorocyclobutanecarboxylic acid
D7960	3,3'-Dithiodipropionic Acid
D5080-01	3,3-Dimethylglutaric Acid
A0790-01	3-Aminobenzoic Acid
P6570-01	3-Phenylpyruvic acid
H2370-01	3-Hydroxycinnamic acid
T6490-01	3-Thiopheneboronic acid
N8460-01	3-Nitrophthalic acid
C2590-01	3-Chloroisonicotinic Acid
A0791-01	3-Aminobenzoic Acid

Catalog	Name
426069-01	3-Hydroxyphenylboronic acid
431642-01	4-Chloro-3-hydroxyphenylboronic acid
425843-01	3-Formyl-4-hydroxyphenylboronic acid
425710-01	3-Fluoro-5-hydroxyphenylboronic acid
424973-01	3-Chloro-4-hydroxyphenylboronic acid
TYD-00197-01	3-Hydroxyphenylboronic acid pinacol ester
TRC-B993620-1G	4-Bromo-3-hydroxyphenylboronic Acid
sc-261032A	3-Methoxy-2-hydroxyphenylboronic acid
sc-260913	3-Fluoro-2-hydroxyphenylboronic acid
OR907477-01	3-Chloro-2-hydroxyphenylboronic acid