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Home > Imidazoles > 109063-48-1
109063-48-1 | 2,4-Imidazolidinedione, 5-[(5-hydroxy-1H-indol-3-yl)methyl]-, (S)-
CAS No: 109063-48-1 Catalog No: AG007TOA MDL No:
Product Description
Catalog Number:
AG007TOA
Chemical Name:
2,4-Imidazolidinedione, 5-[(5-hydroxy-1H-indol-3-yl)methyl]-, (S)-
CAS Number:
109063-48-1
Molecular Formula:
C12H11N3O3
Molecular Weight:
245.2340
IUPAC Name:
(5S)-5-[(5-hydroxy-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
InChI:
InChI=1S/C12H11N3O3/c16-7-1-2-9-8(4-7)6(5-13-9)3-10-11(17)15-12(18)14-10/h1-2,4-5,10,13,16H,3H2,(H2,14,15,17,18)/t10-/m0/s1
InChI Key:
GKEKKERMGMGHEC-JTQLQIEISA-N
SMILES:
Oc1cc2c(C[C@@H]3NC(=O)NC3=O)c[nH]c2cc1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
245.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
245.238g/mol
Monoisotopic Mass:
245.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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