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Home > Boronic Acids > 1310404-56-8
1310404-56-8 | Boronic acid, B-[5-(1-hydroxy-1-methylethyl)-3-pyridinyl]-
CAS No: 1310404-56-8 Catalog No: AG000VEY MDL No:MFCD09992911
Product Description
Catalog Number:
AG000VEY
Chemical Name:
Boronic acid, B-[5-(1-hydroxy-1-methylethyl)-3-pyridinyl]-
CAS Number:
1310404-56-8
Molecular Formula:
C8H12BNO3
Molecular Weight:
180.9968
MDL Number:
MFCD09992911
IUPAC Name:
[5-(2-hydroxypropan-2-yl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C8H12BNO3/c1-8(2,11)6-3-7(9(12)13)5-10-4-6/h3-5,11-13H,1-2H3
InChI Key:
GRDBBBJVJPPVCL-UHFFFAOYSA-N
SMILES:
OB(c1cncc(c1)C(O)(C)C)O
Properties
Complexity:
175
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:
3
Isotope Atom Count:
0
Molecular Weight:
180.998g/mol
Monoisotopic Mass:
181.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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