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Home > Boronic Acids > 797755-11-4
797755-11-4 | 3-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoic acid
CAS No: 797755-11-4 Catalog No: AG0056A6 MDL No:MFCD11053827
Product Description
Catalog Number:
AG0056A6
Chemical Name:
3-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoic acid
CAS Number:
797755-11-4
Molecular Formula:
C15H21BO4
Molecular Weight:
276.1358
MDL Number:
MFCD11053827
IUPAC Name:
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoic acid
InChI:
InChI=1S/C15H21BO4/c1-14(2)15(3,4)20-16(19-14)12-8-5-11(6-9-12)7-10-13(17)18/h5-6,8-9H,7,10H2,1-4H3,(H,17,18)
InChI Key:
FGPXTVKFNUWYEQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.153g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.139g/mol
Monoisotopic Mass:
276.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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