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Home > Boronic Acids > 1009303-59-6
1009303-59-6 | Boronic acid, B-[3-cyano-4-(1-methylethoxy)phenyl]-
CAS No: 1009303-59-6 Catalog No: AG00037Y MDL No:MFCD17011847
Product Description
Catalog Number:
AG00037Y
Chemical Name:
Boronic acid, B-[3-cyano-4-(1-methylethoxy)phenyl]-
CAS Number:
1009303-59-6
Molecular Formula:
C10H12BNO3
Molecular Weight:
205.0182
MDL Number:
MFCD17011847
IUPAC Name:
(3-cyano-4-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C10H12BNO3/c1-7(2)15-10-4-3-9(11(13)14)5-8(10)6-12/h3-5,7,13-14H,1-2H3
InChI Key:
ZMFIWVJZUSQMBE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1OC(C)C)B(O)O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.02g/mol
Monoisotopic Mass:
205.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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