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4-(dihydroxyboranyl)pyridin-1-ium-1-olate

4-(dihydroxyboranyl)pyridin-1-ium-1-olate

CAS: 859160-66-0

Formula: C5H6BNO3

SMILES: OB(O)C1=CC=[N+]([O-])C=C1

IUPAC: 4-(dihydroxyboranyl)pyridin-1-ium-1-olate

InChI: InChI=1S/C5H6BNO3/c8-6(9)5-1-3-7(10)4-2-5/h1-4,8-9H

Composition: C (43.23%), H (4.35%), B (7.78%), N (10.08%), O (34.55%)

Molar Mass: 138.92

Atom Count: 16

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 139.044073
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RILKXYQKLBJJFX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 31.76
Topological Polar Surface Area 67.4
Polarizability 13.15
Ring Count 1
Rotatable Bond Count 1

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