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Home > Indoles and Oxindole > 1432679-24-7
1432679-24-7 | octahydro-1H-indole-6-sulfonic acid
CAS No: 1432679-24-7 Catalog No: AG01A27Y MDL No:MFCD23701777
Product Description
Catalog Number:
AG01A27Y
Chemical Name:
octahydro-1H-indole-6-sulfonic acid
CAS Number:
1432679-24-7
Molecular Formula:
C8H15NO3S
Molecular Weight:
205.2746
MDL Number:
MFCD23701777
IUPAC Name:
2,3,3a,4,5,6,7,7a-octahydro-1H-indole-6-sulfonic acid
InChI:
InChI=1S/C8H15NO3S/c10-13(11,12)7-2-1-6-3-4-9-8(6)5-7/h6-9H,1-5H2,(H,10,11,12)
InChI Key:
HJZJFNRYVWVMQL-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:
205.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.272g/mol
Monoisotopic Mass:
205.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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