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Home > Nitro Compounds > 88626-95-3
88626-95-3 | 2,4-Pentanedione, 3-(6-methoxy-5-nitro-4-pyrimidinyl)-
CAS No: 88626-95-3 Catalog No: AG004A3T MDL No:
Product Description
Catalog Number:
AG004A3T
Chemical Name:
2,4-Pentanedione, 3-(6-methoxy-5-nitro-4-pyrimidinyl)-
CAS Number:
88626-95-3
Molecular Formula:
C10H11N3O5
Molecular Weight:
253.2114
IUPAC Name:
3-(6-methoxy-5-nitropyrimidin-4-yl)pentane-2,4-dione
InChI:
InChI=1S/C10H11N3O5/c1-5(14)7(6(2)15)8-9(13(16)17)10(18-3)12-4-11-8/h4,7H,1-3H3
InChI Key:
ULICBSMZHOIKGD-UHFFFAOYSA-N
SMILES:
COc1ncnc(c1[N+](=O)[O-])C(C(=O)C)C(=O)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.214g/mol
Monoisotopic Mass:
253.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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