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Home > Boronic Acids > 827628-23-9
827628-23-9 | Boronic acid, [6-(1-cyanocyclopropyl)-3-pyridinyl]-
CAS No: 827628-23-9 Catalog No: AG008IJY MDL No:
Product Description
Catalog Number:
AG008IJY
Chemical Name:
Boronic acid, [6-(1-cyanocyclopropyl)-3-pyridinyl]-
CAS Number:
827628-23-9
Molecular Formula:
C9H9BN2O2
Molecular Weight:
187.9910
IUPAC Name:
[6-(1-cyanocyclopropyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C9H9BN2O2/c11-6-9(3-4-9)8-2-1-7(5-12-8)10(13)14/h1-2,5,13-14H,3-4H2
InChI Key:
RRINVYHNXDCGBF-UHFFFAOYSA-N
SMILES:
N#CC1(CC1)c1ccc(cn1)B(O)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.993g/mol
Monoisotopic Mass:
188.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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