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Home > Indoles and Oxindole > 160169-49-3
160169-49-3 | 3(2H)-Indolizinone, hexahydro-1,2-dihydroxy-, (1R,2S,8aR)-
CAS No: 160169-49-3 Catalog No: AG001RPL MDL No:
Product Description
Catalog Number:
AG001RPL
Chemical Name:
3(2H)-Indolizinone, hexahydro-1,2-dihydroxy-, (1R,2S,8aR)-
CAS Number:
160169-49-3
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
IUPAC Name:
(1R,2S,8aR)-1,2-dihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
InChI:
InChI=1S/C8H13NO3/c10-6-5-3-1-2-4-9(5)8(12)7(6)11/h5-7,10-11H,1-4H2/t5-,6-,7+/m1/s1
InChI Key:
LKCBJKFYFVBJCS-QYNIQEEDSA-N
SMILES:
O[C@@H]1C(=O)N2[C@@H]([C@H]1O)CCCC2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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