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4-methoxypyridin-3-ylboronic acid hydrate

4-methoxypyridin-3-ylboronic acid hydrate

CAS: 1256355-26-6

Formula: C6H10BNO4

SMILES: O.COC1=CC=NC=C1B(O)O

IUPAC: (4-methoxypyridin-3-yl)boronic acid hydrate

InChI: InChI=1S/C6H8BNO3.H2O/c1-11-6-2-3-8-4-5(6)7(9)10;/h2-4,9-10H,1H3;1H2

Composition: C (42.15%), H (5.90%), B (6.32%), N (8.19%), O (37.43%)

Molar Mass: 170.96

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 171.070288
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ZBZNLBIHQORSMH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.91
Topological Polar Surface Area 62.58
Polarizability 15.18
Ring Count 1
Rotatable Bond Count 2

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