2,3-dimethoxyphenylboronic acid

2,3-dimethoxyphenylboronic acid

CAS: 40972-86-9

Formula: C8H11BO4

SMILES: COC1=CC=CC(B(O)O)=C1OC

IUPAC: (2,3-dimethoxyphenyl)boronic acid

InChI: InChI=1S/C8H11BO4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5,10-11H,1-2H3

Composition: C (52.80%), H (6.09%), B (5.94%), O (35.17%)

Molar Mass: 181.98

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	182.075039
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	VREWSCMOGIXMDQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.53
Topological Polar Surface Area	58.92
Polarizability	18.59
Ring Count	1
Rotatable Bond Count	3

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