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Home > Boronic Acids > 1253911-68-0
1253911-68-0 | Boronic acid, B-(2,3-dihydro-3,3-dimethyl-2-oxo-1H-indol-6-yl)-
CAS No: 1253911-68-0 Catalog No: AG000NM9 MDL No:
Product Description
Catalog Number:
AG000NM9
Chemical Name:
Boronic acid, B-(2,3-dihydro-3,3-dimethyl-2-oxo-1H-indol-6-yl)-
CAS Number:
1253911-68-0
Molecular Formula:
C10H12BNO3
Molecular Weight:
205.0182
IUPAC Name:
(3,3-dimethyl-2-oxo-1H-indol-6-yl)boronic acid
InChI:
InChI=1S/C10H12BNO3/c1-10(2)7-4-3-6(11(14)15)5-8(7)12-9(10)13/h3-5,14-15H,1-2H3,(H,12,13)
InChI Key:
ZNKABIPXUSXBMR-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1(C)C)ccc(c2)B(O)O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.02g/mol
Monoisotopic Mass:
205.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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