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Home > Boronic Acids > 850568-53-5
850568-53-5 | (E)-(3-(2-Cyanovinyl)phenyl)boronic acid
CAS No: 850568-53-5 Catalog No: AG004Z7L MDL No:MFCD04973741
Product Description
Catalog Number:
AG004Z7L
Chemical Name:
(E)-(3-(2-Cyanovinyl)phenyl)boronic acid
CAS Number:
850568-53-5
Molecular Formula:
C9H8BNO2
Molecular Weight:
172.9763
MDL Number:
MFCD04973741
IUPAC Name:
[3-[(E)-2-cyanoethenyl]phenyl]boronic acid
InChI:
InChI=1S/C9H8BNO2/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1-5,7,12-13H/b4-2+
InChI Key:
YDSLGHLJEJPWNC-DUXPYHPUSA-N
SMILES:
N#C/C=C/c1cccc(c1)B(O)O
Properties
Complexity:
231
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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