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139157-69-0 | 1H-Imidazole, 2-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-1-methyl-5-nitro-
CAS No: 139157-69-0 Catalog No: AG001AFD MDL No:
Product Description
Catalog Number:
AG001AFD
Chemical Name:
1H-Imidazole, 2-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-1-methyl-5-nitro-
CAS Number:
139157-69-0
Molecular Formula:
C11H15N3O4
Molecular Weight:
253.2545
IUPAC Name:
2-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-1-methyl-5-nitroimidazole
InChI:
InChI=1S/C11H15N3O4/c1-11(2)17-6-8(7-18-11)4-9-12-5-10(13(9)3)14(15)16/h4-5H,6-7H2,1-3H3
InChI Key:
WFPDWUDPNTZURJ-UHFFFAOYSA-N
SMILES:
CC1(C)OCC(=Cc2ncc(n2C)[N+](=O)[O-])CO1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.258g/mol
Monoisotopic Mass:
253.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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