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Home > Boronic Acids > 1418129-42-6
1418129-42-6 | 2-Formyl-4-methylphenylboronic acid pinacol ester
CAS No: 1418129-42-6 Catalog No: AG01DD23 MDL No:MFCD18731004
Product Description
Catalog Number:
AG01DD23
Chemical Name:
2-Formyl-4-methylphenylboronic acid pinacol ester
CAS Number:
1418129-42-6
Molecular Formula:
C14H19BO3
Molecular Weight:
246.1099
MDL Number:
MFCD18731004
IUPAC Name:
5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
InChI:
InChI=1S/C14H19BO3/c1-10-6-7-12(11(8-10)9-16)15-17-13(2,3)14(4,5)18-15/h6-9H,1-5H3
InChI Key:
WLPOYQRFEVWRJF-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)ccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.143g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.113g/mol
Monoisotopic Mass:
246.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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