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59554-39-1 | 2-Methoxy-4-methylbenzenesulfonamide
CAS No: 59554-39-1 Catalog No: AG003HIX MDL No:MFCD01318156
Product Description
Catalog Number:
AG003HIX
Chemical Name:
2-Methoxy-4-methylbenzenesulfonamide
CAS Number:
59554-39-1
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
MDL Number:
MFCD01318156
IUPAC Name:
2-methoxy-4-methylbenzenesulfonamide
InChI:
InChI=1S/C8H11NO3S/c1-6-3-4-8(13(9,10)11)7(5-6)12-2/h3-5H,1-2H3,(H2,9,10,11)
InChI Key:
GQUFSEOISDLWMN-UHFFFAOYSA-N
SMILES:
COc1cc(C)ccc1S(=O)(=O)N
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.046g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.24g/mol
Monoisotopic Mass:
201.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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