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26807-69-2 | Sodium 1-Acetylindoline-2-sulfonate
CAS No: 26807-69-2 Catalog No: AG006TXL MDL No:
Product Description
Catalog Number:
AG006TXL
Chemical Name:
Sodium 1-Acetylindoline-2-sulfonate
CAS Number:
26807-69-2
Molecular Formula:
C10H10NNaO4S
Molecular Weight:
263.2455
IUPAC Name:
sodium;1-acetyl-2,3-dihydroindole-2-sulfonate
InChI:
InChI=1S/C10H11NO4S.Na/c1-7(12)11-9-5-3-2-4-8(9)6-10(11)16(13,14)15;/h2-5,10H,6H2,1H3,(H,13,14,15);/q;+1/p-1
InChI Key:
LKAZCMFZYBOAGI-UHFFFAOYSA-M
SMILES:
[Na]OS(=O)(=O)C1Cc2c(N1C(=O)C)cccc2
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.243g/mol
Monoisotopic Mass:
263.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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