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Home > Boronic Acids > 1072946-14-5
1072946-14-5 | (4-(2-Cyanovinyl)phenyl)boronic acid
CAS No: 1072946-14-5 Catalog No: AG008524 MDL No:MFCD09972115
Product Description
Catalog Number:
AG008524
Chemical Name:
(4-(2-Cyanovinyl)phenyl)boronic acid
CAS Number:
1072946-14-5
Molecular Formula:
C9H8BNO2
Molecular Weight:
172.9763
MDL Number:
MFCD09972115
IUPAC Name:
[4-[(E)-2-cyanoethenyl]phenyl]boronic acid
InChI:
InChI=1S/C9H8BNO2/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-6,12-13H/b2-1+
InChI Key:
UDHXSADADVYMLO-OWOJBTEDSA-N
SMILES:
OB(c1ccc(cc1)/C=C/C#N)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
173.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.978g/mol
Monoisotopic Mass:
173.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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