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Home > Boronic Acids > 957034-31-0
957034-31-0 | (3-(2,2-Dicyanovinyl);phenyl);boronic acid
CAS No: 957034-31-0 Catalog No: AG00H8L5 MDL No:MFCD06214067
Product Description
Catalog Number:
AG00H8L5
Chemical Name:
(3-(2,2-Dicyanovinyl);phenyl);boronic acid
CAS Number:
957034-31-0
Molecular Formula:
C10H7BN2O2
Molecular Weight:
197.9858
MDL Number:
MFCD06214067
IUPAC Name:
[3-(2,2-dicyanoethenyl)phenyl]boronic acid
InChI:
InChI=1S/C10H7BN2O2/c12-6-9(7-13)4-8-2-1-3-10(5-8)11(14)15/h1-5,14-15H
InChI Key:
GVHSHLWYRSUUTN-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cccc(c1)B(O)O)C#N
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.988g/mol
Monoisotopic Mass:
198.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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