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Home > Imidazoles > 104809-12-3
104809-12-3 | 1H-Pyrrolo[1,2-c]imidazol-1-one,hexahydro-6-hydroxy-2-methyl-3-thioxo-
CAS No: 104809-12-3 Catalog No: AG007GCB MDL No:
Product Description
Catalog Number:
AG007GCB
Chemical Name:
1H-Pyrrolo[1,2-c]imidazol-1-one,hexahydro-6-hydroxy-2-methyl-3-thioxo-
CAS Number:
104809-12-3
Molecular Formula:
C9H15N3O4S
Molecular Weight:
261.2981
IUPAC Name:
4-hydroxypyrrolidine-2-carboxylic acid;1-methyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C5H9NO3.C4H6N2OS/c7-3-1-4(5(8)9)6-2-3;1-6-2-3(7)5-4(6)8/h3-4,6-7H,1-2H2,(H,8,9);2H2,1H3,(H,5,7,8)
InChI Key:
CKLLMZRREKSAKB-UHFFFAOYSA-N
SMILES:
O=C1NC(=S)N(C1)C.OC1CNC(C1)C(=O)O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
261.296g/mol
Monoisotopic Mass:
261.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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