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Home > Indoles and Oxindole > 80279-71-6
80279-71-6 | 2,3-dihydro-1H-indole-6-sulfonic acid
CAS No: 80279-71-6 Catalog No: AG01A1OI MDL No:MFCD20667628
Product Description
Catalog Number:
AG01A1OI
Chemical Name:
2,3-dihydro-1H-indole-6-sulfonic acid
CAS Number:
80279-71-6
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
MDL Number:
MFCD20667628
IUPAC Name:
2,3-dihydro-1H-indole-6-sulfonic acid
InChI:
InChI=1S/C8H9NO3S/c10-13(11,12)7-2-1-6-3-4-9-8(6)5-7/h1-2,5,9H,3-4H2,(H,10,11,12)
InChI Key:
SNRSKXDRZWSQKH-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccc2c(c1)NCC2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.224g/mol
Monoisotopic Mass:
199.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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