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3,4-dimethylphenylboronic acid

3,4-dimethylphenylboronic acid

CAS: 55499-43-9

Formula: C8H11BO2

SMILES: CC1=C(C)C=C(C=C1)B(O)O

IUPAC: (3,4-dimethylphenyl)boronic acid

InChI: InChI=1S/C8H11BO2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5,10-11H,1-2H3

Composition: C (64.07%), H (7.39%), B (7.21%), O (21.33%)

Molar Mass: 149.98

Atom Count: 22

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 150.08521
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey KDVZJKOYSOFXRV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.69
Topological Polar Surface Area 40.46
Polarizability 17.06
Ring Count 1
Rotatable Bond Count 1

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Key Organics Ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 55499-43-9 $21.85-$86.31$21.85$51.35$63.37$71.01$86.31
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MATRIX SCIENTIFIC
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 55499-43-9 $139.04-$342.24$139.04$342.24
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