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Home > Boronic Acids > 1217500-61-2
1217500-61-2 | Boronic acid, B-(2,3-dihydro-2-oxo-1H-indol-6-yl)-
CAS No: 1217500-61-2 Catalog No: AG0015RA MDL No:MFCD12913936
Product Description
Catalog Number:
AG0015RA
Chemical Name:
Boronic acid, B-(2,3-dihydro-2-oxo-1H-indol-6-yl)-
CAS Number:
1217500-61-2
Molecular Formula:
C8H8BNO3
Molecular Weight:
176.9650
MDL Number:
MFCD12913936
IUPAC Name:
(2-oxo-1,3-dihydroindol-6-yl)boronic acid
InChI:
InChI=1S/C8H8BNO3/c11-8-3-5-1-2-6(9(12)13)4-7(5)10-8/h1-2,4,12-13H,3H2,(H,10,11)
InChI Key:
YLNQBQVYRMHRAQ-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(N1)cc(cc2)B(O)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
176.966g/mol
Monoisotopic Mass:
177.06g/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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