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58804-18-5 | 4-(hydroxymethyl)-N,N-dimethylbenzene-1-sulfonamide
CAS No: 58804-18-5 Catalog No: AG01ACF1 MDL No:MFCD19317373
Product Description
Catalog Number:
AG01ACF1
Chemical Name:
4-(hydroxymethyl)-N,N-dimethylbenzene-1-sulfonamide
CAS Number:
58804-18-5
Molecular Formula:
C9H13NO3S
Molecular Weight:
215.2694
MDL Number:
MFCD19317373
IUPAC Name:
4-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide
InChI:
InChI=1S/C9H13NO3S/c1-10(2)14(12,13)9-5-3-8(7-11)4-6-9/h3-6,11H,7H2,1-2H3
InChI Key:
OOEUHVYHMXRWEH-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)S(=O)(=O)N(C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.267g/mol
Monoisotopic Mass:
215.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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