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Home > Boronic Acids > 1051316-42-7
1051316-42-7 | (2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)boronic acid
CAS No: 1051316-42-7 Catalog No: AG0091C2 MDL No:MFCD18837833
Product Description
Catalog Number:
AG0091C2
Chemical Name:
(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)boronic acid
CAS Number:
1051316-42-7
Molecular Formula:
C9H10BNO3
Molecular Weight:
190.9916
MDL Number:
MFCD18837833
IUPAC Name:
(2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid
InChI:
InChI=1S/C9H10BNO3/c12-9-4-1-6-5-7(10(13)14)2-3-8(6)11-9/h2-3,5,13-14H,1,4H2,(H,11,12)
InChI Key:
WIVDQJWQFUTPOH-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1)ccc(c2)B(O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
190.993g/mol
Monoisotopic Mass:
191.075g/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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