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68036-98-6 | tetrahydroimidazo[4,5-d]imidazole-2,5(1h,3h)-dione- formaldehyde(1:1)
CAS No: 68036-98-6 Catalog No: AG006GE7 MDL No:
Product Description
Catalog Number:
AG006GE7
Chemical Name:
tetrahydroimidazo[4,5-d]imidazole-2,5(1h,3h)-dione- formaldehyde(1:1)
CAS Number:
68036-98-6
Molecular Formula:
C5H8N4O3
Molecular Weight:
172.1420
IUPAC Name:
1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dione;formaldehyde
InChI:
InChI=1S/C4H6N4O2.CH2O/c9-3-5-1-2(7-3)8-4(10)6-1;1-2/h1-2H,(H2,5,7,9)(H2,6,8,10);1H2
InChI Key:
NGFUWANGZFFYHK-UHFFFAOYSA-N
SMILES:
O=C1NC2C(N1)NC(=O)N2.O=C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.06g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
172.144g/mol
Monoisotopic Mass:
172.06g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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