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102636-89-5 | 1-Propanesulfonic acid, 3-(ethylphenylamino)-
CAS No: 102636-89-5 Catalog No: AG0007ZT MDL No:
Product Description
Catalog Number:
AG0007ZT
Chemical Name:
1-Propanesulfonic acid, 3-(ethylphenylamino)-
CAS Number:
102636-89-5
Molecular Formula:
C11H17NO3S
Molecular Weight:
243.3226
IUPAC Name:
3-(N-ethylanilino)propane-1-sulfonic acid
InChI:
InChI=1S/C11H17NO3S/c1-2-12(9-6-10-16(13,14)15)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,13,14,15)
InChI Key:
HXITYOAFXWBMLL-UHFFFAOYSA-N
SMILES:
CCN(c1ccccc1)CCCS(=O)(=O)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.093g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.321g/mol
Monoisotopic Mass:
243.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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