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Home > Indoles and Oxindole > 94840-68-3
94840-68-3 | Acetamide, N-[2-[5-(sulfooxy)-1H-indol-3-yl]ethyl]-
CAS No: 94840-68-3 Catalog No: AG005UDV MDL No:
Product Description
Catalog Number:
AG005UDV
Chemical Name:
Acetamide, N-[2-[5-(sulfooxy)-1H-indol-3-yl]ethyl]-
CAS Number:
94840-68-3
Molecular Formula:
C12H14N2O5S
Molecular Weight:
298.3150
IUPAC Name:
[3-(2-acetamidoethyl)-1H-indol-5-yl] hydrogen sulfate
InChI:
InChI=1S/C12H14N2O5S/c1-8(15)13-5-4-9-7-14-12-3-2-10(6-11(9)12)19-20(16,17)18/h2-3,6-7,14H,4-5H2,1H3,(H,13,15)(H,16,17,18)
InChI Key:
UCAJZNVFRVLULS-UHFFFAOYSA-N
SMILES:
CC(=O)NCCc1c[nH]c2c1cc(cc2)OS(=O)(=O)O
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
298.313g/mol
Monoisotopic Mass:
298.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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