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Home > Boronic Acids > 2246831-80-9
2246831-80-9 | 3-(4-methylpentanamido)phenylboronic acid
CAS No: 2246831-80-9 Catalog No: AG01FKZV MDL No:
Product Description
Catalog Number:
AG01FKZV
Chemical Name:
3-(4-methylpentanamido)phenylboronic acid
CAS Number:
2246831-80-9
Molecular Formula:
C12H18BNO3
Molecular Weight:
235.0872
IUPAC Name:
[3-(4-methylpentanoylamino)phenyl]boronic acid
InChI:
InChI=1S/C12H18BNO3/c1-9(2)6-7-12(15)14-11-5-3-4-10(8-11)13(16)17/h3-5,8-9,16-17H,6-7H2,1-2H3,(H,14,15)
InChI Key:
OMBYASWOTHSBET-UHFFFAOYSA-N
SMILES:
CC(CCC(=O)Nc1cccc(c1)B(O)O)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.138g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
235.09g/mol
Monoisotopic Mass:
235.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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