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Home > Boronic Acids > 376584-81-5
376584-81-5 | (1-oxo-1,2,3,4-Tetrahydroisoquinolin-6-yl)boronic acid
CAS No: 376584-81-5 Catalog No: AG0078ER MDL No:MFCD11044670
Product Description
Catalog Number:
AG0078ER
Chemical Name:
(1-oxo-1,2,3,4-Tetrahydroisoquinolin-6-yl)boronic acid
CAS Number:
376584-81-5
Molecular Formula:
C9H10BNO3
Molecular Weight:
190.9916
MDL Number:
MFCD11044670
IUPAC Name:
(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)boronic acid
InChI:
InChI=1S/C9H10BNO3/c12-9-8-2-1-7(10(13)14)5-6(8)3-4-11-9/h1-2,5,13-14H,3-4H2,(H,11,12)
InChI Key:
WBRWWAFNHQVTDM-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)CCNC2=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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