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Home > Boronic Acids > 254893-03-3
254893-03-3 | (4-(3-Oxocyclobutyl)phenyl)boronic acid
CAS No: 254893-03-3 Catalog No: AG006U4A MDL No:MFCD03452752
Product Description
Catalog Number:
AG006U4A
Chemical Name:
(4-(3-Oxocyclobutyl)phenyl)boronic acid
CAS Number:
254893-03-3
Molecular Formula:
C10H11BO3
Molecular Weight:
190.0035
MDL Number:
MFCD03452752
IUPAC Name:
[4-(3-oxocyclobutyl)phenyl]boronic acid
InChI:
InChI=1S/C10H11BO3/c12-10-5-8(6-10)7-1-3-9(4-2-7)11(13)14/h1-4,8,13-14H,5-6H2
InChI Key:
BYPKMPFUDVBYQU-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C1CC(=O)C1)O
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.005g/mol
Monoisotopic Mass:
190.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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