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Home > Nitro Compounds > 156360-67-7
156360-67-7 | 2-Propanone, 1-[3-(2,3-dihydroxypropyl)-3,4-dihydro-2,6-dimethoxy-5-nitro-4-pyrimidinyl]-
CAS No: 156360-67-7 Catalog No: AG001OP5 MDL No:
Product Description
Catalog Number:
AG001OP5
Chemical Name:
2-Propanone, 1-[3-(2,3-dihydroxypropyl)-3,4-dihydro-2,6-dimethoxy-5-nitro-4-pyrimidinyl]-
CAS Number:
156360-67-7
Molecular Formula:
C12H19N3O7
Molecular Weight:
317.2952
IUPAC Name:
1-[3-(2,3-dihydroxypropyl)-2,6-dimethoxy-5-nitro-4H-pyrimidin-4-yl]propan-2-one
InChI:
InChI=1S/C12H19N3O7/c1-7(17)4-9-10(15(19)20)11(21-2)13-12(22-3)14(9)5-8(18)6-16/h8-9,16,18H,4-6H2,1-3H3
InChI Key:
JGVSGBOWZVYKJV-UHFFFAOYSA-N
SMILES:
OCC(CN1C(=NC(=C(C1CC(=O)C)[N+](=O)[O-])OC)OC)O
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.298g/mol
Monoisotopic Mass:
317.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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