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88795-34-0 | 1-Propanesulfonic acid, 3-[ethyl(3-methoxyphenyl)amino]-
CAS No: 88795-34-0 Catalog No: AG004CXY MDL No:
Product Description
Catalog Number:
AG004CXY
Chemical Name:
1-Propanesulfonic acid, 3-[ethyl(3-methoxyphenyl)amino]-
CAS Number:
88795-34-0
Molecular Formula:
C12H19NO4S
Molecular Weight:
273.3486
IUPAC Name:
3-(N-ethyl-3-methoxyanilino)propane-1-sulfonic acid
InChI:
InChI=1S/C12H19NO4S/c1-3-13(8-5-9-18(14,15)16)11-6-4-7-12(10-11)17-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,15,16)
InChI Key:
STBWJPWQQLXSCK-UHFFFAOYSA-N
SMILES:
CCN(c1cccc(c1)OC)CCCS(=O)(=O)O
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.347g/mol
Monoisotopic Mass:
273.103g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Serum malondialdehyde level: Surrogate stress marker in the Sikkimese diabetics. | Journal of natural science, biology, and medicine 20110101 |
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