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Home > Imidazoles > 144095-78-3
144095-78-3 | 2H-Imidazo[4,5-d]oxazole, hexahydro-3-nitro-4,6-bis(1-oxopropyl)- (9CI)
CAS No: 144095-78-3 Catalog No: AG001IW7 MDL No:
Product Description
Catalog Number:
AG001IW7
Chemical Name:
2H-Imidazo[4,5-d]oxazole, hexahydro-3-nitro-4,6-bis(1-oxopropyl)- (9CI)
CAS Number:
144095-78-3
Molecular Formula:
C10H16N4O5
Molecular Weight:
272.2578
IUPAC Name:
1-(3-nitro-6-propanoyl-2,3a,5,6a-tetrahydroimidazo[4,5-d][1,3]oxazol-4-yl)propan-1-one
InChI:
InChI=1S/C10H16N4O5/c1-3-7(15)11-5-12(8(16)4-2)10-9(11)13(6-19-10)14(17)18/h9-10H,3-6H2,1-2H3
InChI Key:
UYQPWPZZYFEZLT-UHFFFAOYSA-N
SMILES:
CCC(=O)N1CN(C2C1OCN2[N+](=O)[O-])C(=O)CC
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.112g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.261g/mol
Monoisotopic Mass:
272.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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