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Home > Indoles and Oxindole > 98487-89-9
98487-89-9 | 1H-Indole-5-sulfonic acid, 2,3-dihydro-
CAS No: 98487-89-9 Catalog No: AG005UXP MDL No:
Product Description
Catalog Number:
AG005UXP
Chemical Name:
1H-Indole-5-sulfonic acid, 2,3-dihydro-
CAS Number:
98487-89-9
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
IUPAC Name:
2,3-dihydro-1H-indole-5-sulfonic acid
InChI:
InChI=1S/C8H9NO3S/c10-13(11,12)7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9H,3-4H2,(H,10,11,12)
InChI Key:
PAIWTNHDWUIISN-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccc2c(c1)CCN2
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:
1
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