3-Hydroxy-5-methylphenylboronic acid

CAT: 0127-OR361260-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR361260-01Size:250 mg

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CAS Number

1256345-79-5

MDL Number

MFCD16618932

Purity

=95%

Smiles

Cc1cc(O)cc(c1)B(O)O

Chemical Information

3-Hydroxy-5-methylphenylboronic acid

CAS Number	1256345-79-5
PubChem CID	53216322
IUPAC Name	(3-hydroxy-5-methylphenyl)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	1
Heavy Atom Count	11
Formal Charge	0
Complexity	129

SMILES

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

InChI

InChI=1S/C7H9BO3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,9-11H,1H3

InChIKey

OYSWVVOTJWCGJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1256345-79-5

CID: 53216322

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	1
Exact Mass	152.0644743
Monoisotopic Mass	152.0644743
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	11
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
OR361261	5-Hydroxy-2-methylphenylboronic acid
OR360235	2-Hydroxy-5-methylphenylboronic acid
OR361259-01	2-Hydroxy-3-methylphenylboronic acid
OR361067-01	3- (Cyclopentyloxy) -5-methylphenylboronic acid
OR361201	3-Ethoxy-5-methylphenylboronic acid
OR360300	3- (Methoxycarbonyl) -5-methylphenylboronic acid
OR908553-01	3-Cyano-5-methylphenylboronic acid
OR361285	3-Isobutoxy-5-methylphenylboronic acid
OR360201	3-Carboxy-5-methylphenylboronic acid
OR360692	3- (Benzyloxy) -5-methylphenylboronic acid

Catalog	Name
425990-01	3-Hydroxy-5-methylphenylboronic acid
418284-01	2-Hydroxy-5-methylphenylboronic acid
AFC21645-01	5-Hydroxy-2-methylphenylboronic acid
425991-01	3-Hydroxy-5-methylphenylboronic acid, pinacol ester
sc-259933A	2-Hydroxy-3-methylphenylboronic acid
RIA01935-01	3-Hydroxy-4-methylphenylboronic acid
ZIB06236	3-Bromo-5-methylphenylboronic acid
TRC-E894888-500MG	3-Ethoxy-5-methylphenylboronic acid
725251-81-0	3-Methoxy-5-methylphenylboronic acid
426165-01	3-Isopropoxy-5-methylphenylboronic acid