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Home > Nitro Compounds > 88690-42-0
88690-42-0 | 2(1H)-Pyrimidinone, 4,6-dimethyl-1-[2-(nitrophenyl)-2-oxoethyl]-
CAS No: 88690-42-0 Catalog No: AG0046OK MDL No:
Product Description
Catalog Number:
AG0046OK
Chemical Name:
2(1H)-Pyrimidinone, 4,6-dimethyl-1-[2-(nitrophenyl)-2-oxoethyl]-
CAS Number:
88690-42-0
Molecular Formula:
C14H13N3O4
Molecular Weight:
287.2707
IUPAC Name:
4,6-dimethyl-1-[2-(2-nitrophenyl)-2-oxoethyl]pyrimidin-2-one
InChI:
InChI=1S/C14H13N3O4/c1-9-7-10(2)16(14(19)15-9)8-13(18)11-5-3-4-6-12(11)17(20)21/h3-7H,8H2,1-2H3
InChI Key:
LSGCWBKJMAGVOR-UHFFFAOYSA-N
SMILES:
Cc1cc(C)n(c(=O)n1)CC(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.275g/mol
Monoisotopic Mass:
287.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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