3- (2-Hydroxyethyl) benzeneboronic acid

CAT: 0926-XAB85332Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-XAB85332Size:2.5 g

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CAS Number

647853-32-5

MDL Number

MFCD03095123

Smiles

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

Molecular Formula

C8H11BO3

Molecular Weight

165.98 g/mol

Controlled

Chemical Information

3-(2-Hydroxyethyl)benzeneboronic acid

CAS Number	647853-32-5
PubChem CID	21091620
IUPAC Name	[3-(2-hydroxyethyl)phenyl]boronic acid
Molecular Formula	C8H11BO3
Molecular Weight	165.98
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	129

SMILES

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

InChI

InChI=1S/C8H11BO3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,10-12H,4-5H2

InChIKey

GCSYFWQBJAJDGY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 647853-32-5

CID: 21091620

Formula: C8H11BO3

MW: 165.98

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.98
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	166.0801244
Monoisotopic Mass	166.0801244
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	129
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
YWB92230	4- (1-Hydroxyethyl) benzeneboronic acid, pinacol ester
VMA73008-01	3- (2-Hydroxyethyl) benzoic Acid
YLB23228-01	3-[ (2-Hydroxyethyl) amino]benzoic acid
PDA58445-01	3-[ (2-Hydroxyethyl) amino]butanoic acid
FAA45899-01	3-[ (2-Hydroxyethyl) amino]propanoic acid
TBC28461	3-Fluoro-2- (methoxycarbonyl) benzeneboronic acid pinacol ester
ZEA33543-01	3-[ (2-Hydroxyethyl) (methyl) amino]propanoic acid
FH55443-01	4- (2-Hydroxyethyl) benzoic acid
UAA20651-01	2- (2-Hydroxyethyl) phenylboronic acid dehydrated
ICA98052-01	2-[ (2-Hydroxyethyl) sulfanyl]benzoic acid

Catalog	Name
sc-260401	3- (2-Hydroxyethyl) benzeneboronic acid
OR3329-01	2- (2-Hydroxyethyl) benzeneboronic acid dehydrate
OR59387-01	3-[ (2-Hydroxyethyl) carbamoyl]benzeneboronic acid
sc-260657A	3-[N- (2-Hydroxyethyl) sulphamoyl]benzeneboronic acid
OR3985-01	4-[N- (2-Hydroxyethyl) sulphamoyl]benzeneboronic acid
PC5028-01	4-Fluoro-3-[ (2-hydroxyethyl) carbamoyl]benzeneboronic acid
PC7183	3-Fluoro-4-[ (2-hydroxyethyl) carbamoyl]benzeneboronic acid
OR303570-01	4- (1-Hydroxyethyl) benzeneboronic acid, pinacol ester
OR5961	4-{[4- (2-Hydroxyethyl) piperazin-1-yl]carbonyl}benzeneboronic acid hydrochloride
sc-259302A	2- (Methylsulphinyl) benzeneboronic acid