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Home > Boronic Acids > 1088496-43-8
1088496-43-8 | 5-Borono-2-(2-hydroxypropan-2-yl)pyridine 1-oxide
CAS No: 1088496-43-8 Catalog No: AG00HB8W MDL No:MFCD12964551
Product Description
Catalog Number:
AG00HB8W
Chemical Name:
5-Borono-2-(2-hydroxypropan-2-yl)pyridine 1-oxide
CAS Number:
1088496-43-8
Molecular Formula:
C8H12BNO4
Molecular Weight:
196.9962
MDL Number:
MFCD12964551
IUPAC Name:
[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]boronic acid
InChI:
InChI=1S/C8H12BNO4/c1-8(2,11)7-4-3-6(9(12)13)5-10(7)14/h3-5,11-13H,1-2H3
InChI Key:
FBIFGWPXTUGZOE-UHFFFAOYSA-N
SMILES:
OB(c1ccc([n+](c1)[O-])C(O)(C)C)O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
196.997g/mol
Monoisotopic Mass:
197.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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