4-Hydroxymethyl-2-methylphenylboronic acid

CAT: 0127-OR360225-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR360225-01Size:1 g

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CAS Number

166386-66-9

MDL Number

MFCD13181612

Purity

=95%

Smiles

Cc1cc(CO)ccc1B(O)O

Chemical Information

(4-(Hydroxymethyl)-2-methylphenyl)boronic acid

CAS Number	166386-66-9
PubChem CID	57497274
IUPAC Name	[4-(hydroxymethyl)-2-methylphenyl]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	2
Heavy Atom Count	12
Formal Charge	0
Complexity	140

SMILES

B(C1=C(C=C(C=C1)CO)C)(O)O

InChI

InChI=1S/C8H11BO3/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-4,10-12H,5H2,1H3

InChIKey

IYJFMZDMFLQDCO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 166386-66-9

CID: 57497274

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	2
Exact Mass	166.0801244
Monoisotopic Mass	166.0801244
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	140
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
OR1096953	2-Hydroxymethyl-4-methylphenylboronic acid
OR908364-01	3-Hydroxymethyl-4-methylphenylboronic acid
OR907501-01	4-Hydroxymethyl-3-methylphenylboronic acid
OR1087398	3- (Hydroxymethyl) -2-methylphenylboronic acid
OR1093226	5-Hydroxymethyl-2-methylphenylboronic acid
OR1087362	2-Chloro-4-hydroxymethyl-3-methylphenylboronic acid
OR470939	4- (Hydroxymethyl) -3-methylphenylboronic acid Pinacol Ester
OR908498-01	3- (Hydroxymethyl) -5-methylphenylboronic acid
OR471012	3- (Hydroxymethyl) -2-methylphenylboronic acid Pinacol Ester
OR361343-01	2-Methoxycarbonyl-4-methylphenylboronic acid

Catalog	Name
432761-01	4-Hydroxymethyl-2-methylphenylboronic acid
432763-01	4-Hydroxymethyl-3-methylphenylboronic acid
426044-01	3-Hydroxymethyl-4-methylphenylboronic acid
426045-01	3-Hydroxymethyl-4-methylphenylboronic acid, pinacol ester
423232-01	3- (Hydroxymethyl) -5-methylphenylboronic acid
281714-01	4-Methylphenylboronic acid
TRC-F596520-100MG	4-Fluoro-2-methylphenylboronic acid
432885-01	4-Isopropoxy-2-methylphenylboronic acid
431549-01	4-Chloro-2-methylphenylboronic acid
430431-01	4-Benzyloxy-2-methylphenylboronic acid