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59554-42-6 | 4-methoxy-2-methylbenzene-1-sulfonamide
CAS No: 59554-42-6 Catalog No: AG01A1TG MDL No:MFCD18398307
Product Description
Catalog Number:
AG01A1TG
Chemical Name:
4-methoxy-2-methylbenzene-1-sulfonamide
CAS Number:
59554-42-6
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
MDL Number:
MFCD18398307
IUPAC Name:
4-methoxy-2-methylbenzenesulfonamide
InChI:
InChI=1S/C8H11NO3S/c1-6-5-7(12-2)3-4-8(6)13(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
InChI Key:
DNKWKPATOPAAND-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C)S(=O)(=O)N
NSC Number:
99822
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:
0.3
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