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Home > Boronic Acids > 1072944-97-8
1072944-97-8 | (E);-3-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);acrylic acid
CAS No: 1072944-97-8 Catalog No: AG003C0O MDL No:MFCD11053843
Product Description
Catalog Number:
AG003C0O
Chemical Name:
(E);-3-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);acrylic acid
CAS Number:
1072944-97-8
Molecular Formula:
C15H19BO4
Molecular Weight:
274.1200
MDL Number:
MFCD11053843
IUPAC Name:
(E)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C15H19BO4/c1-14(2)15(3,4)20-16(19-14)12-8-5-11(6-9-12)7-10-13(17)18/h5-10H,1-4H3,(H,17,18)/b10-7+
InChI Key:
LNNZFLJPNKVNCC-JXMROGBWSA-N
SMILES:
OC(=O)/C=C/c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
274.138g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.123g/mol
Monoisotopic Mass:
274.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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