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13736-82-8 | Acetamide, N-[4-hydroxy-3-(methylsulfonyl)phenyl]-
CAS No: 13736-82-8 Catalog No: AG001369 MDL No:
Product Description
Catalog Number:
AG001369
Chemical Name:
Acetamide, N-[4-hydroxy-3-(methylsulfonyl)phenyl]-
CAS Number:
13736-82-8
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
IUPAC Name:
N-(4-hydroxy-3-methylsulfonylphenyl)acetamide
InChI:
InChI=1S/C9H11NO4S/c1-6(11)10-7-3-4-8(12)9(5-7)15(2,13)14/h3-5,12H,1-2H3,(H,10,11)
InChI Key:
IYIPZELOCQRYBM-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(c(c1)S(=O)(=O)C)O
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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