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1-hydroxy-3,3-dimethyl-2,1-benzoxaborole-6-carboxylic acid

1-hydroxy-3,3-dimethyl-2,1-benzoxaborole-6-carboxylic acid

CAS: 1393477-51-4

Formula: C10H11BO4

SMILES: CC1(C)OB(O)C2=CC(=CC=C12)C(O)=O

IUPAC: 1-hydroxy-3,3-dimethyl-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid

InChI: InChI=1S/C10H11BO4/c1-10(2)7-4-3-6(9(12)13)5-8(7)11(14)15-10/h3-5,14H,1-2H3,(H,12,13)

Composition: C (58.30%), H (5.38%), B (5.25%), O (31.07%)

Molar Mass: 206

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 206.075039
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey OVNSQKHTBNMARQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.95
Topological Polar Surface Area 66.76
Polarizability 20.74
Ring Count 2
Rotatable Bond Count 1

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