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Home > Boronic Acids > 850991-41-2
850991-41-2 | (5-Isopropoxypyridin-3-yl);boronic acid
CAS No: 850991-41-2 Catalog No: AG008GJK MDL No:MFCD15529675
Product Description
Catalog Number:
AG008GJK
Chemical Name:
(5-Isopropoxypyridin-3-yl);boronic acid
CAS Number:
850991-41-2
Molecular Formula:
C8H12BNO3
Molecular Weight:
180.9968
MDL Number:
MFCD15529675
IUPAC Name:
(5-propan-2-yloxypyridin-3-yl)boronic acid
InChI:
InChI=1S/C8H12BNO3/c1-6(2)13-8-3-7(9(11)12)4-10-5-8/h3-6,11-12H,1-2H3
InChI Key:
XQHUPBAXLPBXOT-UHFFFAOYSA-N
SMILES:
OB(c1cncc(c1)OC(C)C)O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.091g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.998g/mol
Monoisotopic Mass:
181.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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