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Home > Imidazoles > 1094602-32-0
1094602-32-0 | 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid
CAS No: 1094602-32-0 Catalog No: AG01F4KP MDL No:
Product Description
Catalog Number:
AG01F4KP
Chemical Name:
2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-3-methyl-butyric acid
CAS Number:
1094602-32-0
Molecular Formula:
C9H14N4O4
Molecular Weight:
242.2319
IUPAC Name:
2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)-3-methylbutanoic acid
InChI:
InChI=1S/C9H14N4O4/c1-3(2)4(7(14)15)13-6-5(11-9(13)17)10-8(16)12-6/h3-6H,1-2H3,(H,11,17)(H,14,15)(H2,10,12,16)
InChI Key:
OILJCSAXDALWKC-UHFFFAOYSA-N
SMILES:
O=C1NC2C(N1)N(C(=O)N2)C(C(=O)O)C(C)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.102g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
242.235g/mol
Monoisotopic Mass:
242.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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