2-propoxypyridin-3-ylboronic acid

2-propoxypyridin-3-ylboronic acid

CAS: 1218790-85-2

Formula: C8H12BNO3

SMILES: CCCOC1=NC=CC=C1B(O)O

IUPAC: (2-propoxypyridin-3-yl)boronic acid

InChI: InChI=1S/C8H12BNO3/c1-2-6-13-8-7(9(11)12)4-3-5-10-8/h3-5,11-12H,2,6H2,1H3

Composition: C (53.09%), H (6.68%), B (5.97%), N (7.74%), O (26.52%)

Molar Mass: 181

Atom Count: 25

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	181.091023
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DDCHOASBQZMXFI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.5
Topological Polar Surface Area	62.58
Polarizability	18.85
Ring Count	1
Rotatable Bond Count	4

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