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Home > Boronic Acids > 956431-01-9
956431-01-9 | 4-Formyl-3-methoxyphenylboronic acid pinacol ester
CAS No: 956431-01-9 Catalog No: AG00IJAA MDL No:MFCD18732927
Product Description
Catalog Number:
AG00IJAA
Chemical Name:
4-Formyl-3-methoxyphenylboronic acid pinacol ester
CAS Number:
956431-01-9
Molecular Formula:
C14H19BO4
Molecular Weight:
262.1093
MDL Number:
MFCD18732927
IUPAC Name:
2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
InChI:
InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-7-6-10(9-16)12(8-11)17-5/h6-9H,1-5H3
InChI Key:
LWMIBTMNBYRUHU-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C=O)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
326
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:
0
Isotope Atom Count:
0
Molecular Weight:
262.112g/mol
Monoisotopic Mass:
262.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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