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CHEMHERE CHEM128673

CAS No.:
1314881-06-5
Catalog Number:
AG01DV8O
Molecular Formula:
C5H4BNO3
Molecular Weight:
136.9012
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Product Description
Catalog Number:
AG01DV8O
Chemical Name:
CHEMHERE CHEM128673
CAS Number:
1314881-06-5
Molecular Formula:
C5H4BNO3
Molecular Weight:
136.9012
IUPAC Name:
(3-cyanofuran-2-yl)boronic acid
InChI:
InChI=1S/C5H4BNO3/c7-3-4-1-2-10-5(4)6(8)9/h1-2,8-9H
InChI Key:
FGELIKBZOORDRF-UHFFFAOYSA-N
SMILES:
N#Cc1ccoc1B(O)O
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.028g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
136.901g/mol
Monoisotopic Mass:
137.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties