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2-Hydroxy-6-methylphenylboronic acid

CAT: 0127-OR1084700-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1084700-01Size:250 mg
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CAS Number
1567218-39-6
Purity
95%
Smiles
C1ccc (c (c1C) B (O) O) O

Chemical Information

(2-Hydroxy-6-methylphenyl)boronicacid
CAS Number1567218-39-6
PubChem CID89971246
IUPAC Name(2-hydroxy-6-methylphenyl)boronic acid
Molecular FormulaC7H9BO3
Molecular Weight151.96
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity129
SMILES
B(C1=C(C=CC=C1O)C)(O)O
InChI
InChI=1S/C7H9BO3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9-11H,1H3
InChIKey
JFVRQJFOBPBETM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Hydroxy-6-methylphenyl)boronicacid
CAS: 1567218-39-6
CID: 89971246
Formula: C7H9BO3
MW: 151.96
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight151.96
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass152.0644743
Monoisotopic Mass152.0644743
Topological Polar Surface Area60.7 Ų
Heavy Atom Count11
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes