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Home > Nitro Compounds > 88418-57-9
88418-57-9 | 1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro-
CAS No: 88418-57-9 Catalog No: AG004KMT MDL No:
Product Description
Catalog Number:
AG004KMT
Chemical Name:
1,2-Naphthalenedione, 4-(1-acetyl-2-oxopropyl)-3-nitro-
CAS Number:
88418-57-9
Molecular Formula:
C15H11NO6
Molecular Weight:
301.2509
IUPAC Name:
4-(2,4-dioxopentan-3-yl)-3-nitronaphthalene-1,2-dione
InChI:
InChI=1S/C15H11NO6/c1-7(17)11(8(2)18)12-9-5-3-4-6-10(9)14(19)15(20)13(12)16(21)22/h3-6,11H,1-2H3
InChI Key:
WLUZJUPWBWBPEC-UHFFFAOYSA-N
SMILES:
CC(=O)C(C1=C([N+](=O)[O-])C(=O)C(=O)c2c1cccc2)C(=O)C
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.059g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.254g/mol
Monoisotopic Mass:
301.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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