3- (Hydroxymethyl) phenylboronic acid

CAT: 0926-FH37440-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FH37440-01Size:25 g

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CAS Number

87199-15-3

MDL Number

MFCD01317846

Smiles

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

Molecular Formula

C7H9BO3

Molecular Weight

151.96 g/mol

Controlled

Chemical Information

[3-(Hydroxymethyl)phenyl]boronic acid

CAS Number	87199-15-3
PubChem CID	2734662
IUPAC Name	[3-(hydroxymethyl)phenyl]boronic acid
Molecular Formula	C7H9BO3
Molecular Weight	151.96
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	118

SMILES

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

InChI

InChI=1S/C7H9BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9-11H,5H2

InChIKey

HGTDLKXUWVKLQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 87199-15-3

CID: 2734662

Formula: C7H9BO3

MW: 151.96

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	151.96
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	152.0644743
Monoisotopic Mass	152.0644743
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	118
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
FH50587	4- (Hydroxymethyl) phenylboronic acid
WVB61440-01	3-Fluoro-5- (hydroxymethyl) phenylboronic acid
HTB06629	3-Fluoro-4- (hydroxymethyl) phenylboronic acid Pinacol Ester
SEA09894	5-Amino-2- (hydroxymethyl) phenylboronic Acid Cyclic Monoester
MDA19914-01	2- (Hydroxymethyl) phenylboronic Acid (contains varying amounts of Anhydride)
JNB85087	3- (Cyclopentyloxy) phenylboronic acid
FT55252-01	3- (Trifluoromethyl) phenylboronic acid
CHA17116	3- (Trimethylsilyl) phenylboronic acid
FP05680-01	Phenylboronic acid
FH55587-01	3- (Hydroxymethyl) benzoic acid

Catalog	Name
sc-256640	4- (Hydroxymethyl) phenylboronic acid
414253-01	2- (Hydroxymethyl) phenylboronic acid
279765-01	3- (Hydroxymethyl) phenylboronic acid
TYD-00208-01	(3-Hydroxymethyl) phenylboronic acid
232661-01	4- (Hydroxymethyl) phenylboronic acid 99+%
231446-01	3- (Hydroxymethyl) phenylboronic acid 99+%
79897-01	3- (Hydroxymethyl) Phenylboronic acid extrapure, 95%
432346-01	4-Fluoro-3- (hydroxymethyl) phenylboronic acid
425517-01	3-Fluoro-2- (hydroxymethyl) phenylboronic acid
414250-01	2- (Hydroxymethyl) -4- (trifluoromethyl) phenylboronic acid