3-(dihydroxyboranyl)benzoic acid

3-(dihydroxyboranyl)benzoic acid

CAS: 25487-66-5

Formula: C7H7BO4

SMILES: OB(O)C1=CC(=CC=C1)C(O)=O

IUPAC: 3-(dihydroxyboranyl)benzoic acid

InChI: InChI=1S/C7H7BO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H,9,10)

Composition: C (50.67%), H (4.25%), B (6.51%), O (38.57%)

Molar Mass: 165.94

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	166.043739
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	DBVFWZMQJQMJCB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.86
Topological Polar Surface Area	77.76
Polarizability	15.91
Ring Count	1
Rotatable Bond Count	2

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