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Home > Boronic Acids > 885067-95-8
885067-95-8 | (3-(2-Cyanopropan-2-yl)phenyl)boronic acid
CAS No: 885067-95-8 Catalog No: AG00489P MDL No:MFCD20441830
Product Description
Catalog Number:
AG00489P
Chemical Name:
(3-(2-Cyanopropan-2-yl)phenyl)boronic acid
CAS Number:
885067-95-8
Molecular Formula:
C10H12BNO2
Molecular Weight:
189.0188
MDL Number:
MFCD20441830
IUPAC Name:
[3-(2-cyanopropan-2-yl)phenyl]boronic acid
InChI:
InChI=1S/C10H12BNO2/c1-10(2,7-12)8-4-3-5-9(6-8)11(13)14/h3-6,13-14H,1-2H3
InChI Key:
WHBIOYORDBEGAI-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1)B(O)O)(C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.021g/mol
Monoisotopic Mass:
189.096g/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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