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139489-15-9 | Butanamide, 2-hydroxy-3-methyl-N-(4-methylphenyl)-
CAS No: 139489-15-9 Catalog No: AG001B4S MDL No:
Product Description
Catalog Number:
AG001B4S
Chemical Name:
Butanamide, 2-hydroxy-3-methyl-N-(4-methylphenyl)-
CAS Number:
139489-15-9
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
2-hydroxy-3-methyl-N-(4-methylphenyl)butanamide
InChI:
InChI=1S/C12H17NO2/c1-8(2)11(14)12(15)13-10-6-4-9(3)5-7-10/h4-8,11,14H,1-3H3,(H,13,15)
InChI Key:
DFTLSZWZYWUPMZ-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)Nc1ccc(cc1)C)O)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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