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Home > Boronic Acids > 2246887-09-0
2246887-09-0 | [4-(3,3-dimethylbutanamido)phenyl]boronic acid
CAS No: 2246887-09-0 Catalog No: AG00SIIB MDL No:
Product Description
Catalog Number:
AG00SIIB
Chemical Name:
[4-(3,3-dimethylbutanamido)phenyl]boronic acid
CAS Number:
2246887-09-0
Molecular Formula:
C12H18BNO3
Molecular Weight:
235.0872
IUPAC Name:
[4-(3,3-dimethylbutanoylamino)phenyl]boronic acid
InChI:
InChI=1S/C12H18BNO3/c1-12(2,3)8-11(15)14-10-6-4-9(5-7-10)13(16)17/h4-7,16-17H,8H2,1-3H3,(H,14,15)
InChI Key:
FVYFFUGICORKLG-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)NC(=O)CC(C)(C)C)O
Properties
Complexity:
255
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:
4
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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