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Home > Boronic Acids > 797755-07-8
797755-07-8 | Phenylacetic acid-4-boronic acid pinacol ester
CAS No: 797755-07-8 Catalog No: AG0036G8 MDL No:MFCD04038755
Product Description
Catalog Number:
AG0036G8
Chemical Name:
Phenylacetic acid-4-boronic acid pinacol ester
CAS Number:
797755-07-8
Molecular Formula:
C14H19BO4
Molecular Weight:
262.1093
MDL Number:
MFCD04038755
IUPAC Name:
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid
InChI:
InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-7-5-10(6-8-11)9-12(16)17/h5-8H,9H2,1-4H3,(H,16,17)
InChI Key:
FNLWHBHWDXCWHV-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.138g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.112g/mol
Monoisotopic Mass:
262.138g/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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