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Home > Boronic Acids > 1088496-42-7
1088496-42-7 | (6-(2-Hydroxypropan-2-yl)pyridin-3-yl)boronic acid
CAS No: 1088496-42-7 Catalog No: AG00831O MDL No:MFCD28144850
Product Description
Catalog Number:
AG00831O
Chemical Name:
(6-(2-Hydroxypropan-2-yl)pyridin-3-yl)boronic acid
CAS Number:
1088496-42-7
Molecular Formula:
C8H12BNO3
Molecular Weight:
180.9968
MDL Number:
MFCD28144850
IUPAC Name:
[6-(2-hydroxypropan-2-yl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C8H12BNO3/c1-8(2,11)7-4-3-6(5-10-7)9(12)13/h3-5,11-13H,1-2H3
InChI Key:
HQNCOBIVRYULKH-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(cn1)B(O)O)C
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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