2-(dihydroxyboranyl)-6-methoxybenzoic acid

2-(dihydroxyboranyl)-6-methoxybenzoic acid

CAS: 1256346-40-3

Formula: C8H9BO5

SMILES: COC1=CC=CC(B(O)O)=C1C(O)=O

IUPAC: 2-(dihydroxyboranyl)-6-methoxybenzoic acid

InChI: InChI=1S/C8H9BO5/c1-14-6-4-2-3-5(9(12)13)7(6)8(10)11/h2-4,12-13H,1H3,(H,10,11)

Composition: C (49.03%), H (4.63%), B (5.52%), O (40.82%)

Molar Mass: 195.97

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	196.054303
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	FANBEBZGFTYXKE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.32
Topological Polar Surface Area	86.99
Polarizability	18.46
Ring Count	1
Rotatable Bond Count	3

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