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Home > Boronic Acids > 845797-74-2
845797-74-2 | Boronic acid, (4-cyclobutylphenyl)-
CAS No: 845797-74-2 Catalog No: AG004UEM MDL No:MFCD12760760
Product Description
Catalog Number:
AG004UEM
Chemical Name:
Boronic acid, (4-cyclobutylphenyl)-
CAS Number:
845797-74-2
Molecular Formula:
C10H13BO2
Molecular Weight:
176.0200
MDL Number:
MFCD12760760
IUPAC Name:
(4-cyclobutylphenyl)boronic acid
InChI:
InChI=1S/C10H13BO2/c12-11(13)10-6-4-9(5-7-10)8-2-1-3-8/h4-8,12-13H,1-3H2
InChI Key:
WVCDYFJLBAMQSM-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C1CCC1)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.022g/mol
Monoisotopic Mass:
176.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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