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141111-65-1 | Benzamide, 4-hydroxy-N-methyl-3-(methylthio)-
CAS No: 141111-65-1 Catalog No: AG001FY4 MDL No:
Product Description
Catalog Number:
AG001FY4
Chemical Name:
Benzamide, 4-hydroxy-N-methyl-3-(methylthio)-
CAS Number:
141111-65-1
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
IUPAC Name:
4-hydroxy-N-methyl-3-methylsulfanylbenzamide
InChI:
InChI=1S/C9H11NO2S/c1-10-9(12)6-3-4-7(11)8(5-6)13-2/h3-5,11H,1-2H3,(H,10,12)
InChI Key:
WHTYDQHBVZRUNQ-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccc(c(c1)SC)O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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