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819862-82-3 | 1-Propanesulfonic acid, 3-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-
CAS No: 819862-82-3 Catalog No: AG0054OI MDL No:
Product Description
Catalog Number:
AG0054OI
Chemical Name:
1-Propanesulfonic acid, 3-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-
CAS Number:
819862-82-3
Molecular Formula:
C12H17NO3S
Molecular Weight:
255.3333
IUPAC Name:
3-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]propane-1-sulfonic acid
InChI:
InChI=1S/C12H17NO3S/c14-17(15,16)9-3-8-13-12-7-6-10-4-1-2-5-11(10)12/h1-2,4-5,12-13H,3,6-9H2,(H,14,15,16)/t12-/m1/s1
InChI Key:
DEZXRQCEYKVZSY-GFCCVEGCSA-N
SMILES:
OS(=O)(=O)CCCN[C@@H]1CCc2c1cccc2
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
255.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.332g/mol
Monoisotopic Mass:
255.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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