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Home > Nitro Compounds > 88007-99-2
88007-99-2 | 1,4-Naphthalenedione, 2-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-
CAS No: 88007-99-2 Catalog No: AG004KHR MDL No:MFCD00140574
Product Description
Catalog Number:
AG004KHR
Chemical Name:
1,4-Naphthalenedione, 2-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-
CAS Number:
88007-99-2
Molecular Formula:
C19H13NO5
Molecular Weight:
335.3102
MDL Number:
MFCD00140574
IUPAC Name:
2-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]naphthalene-1,4-dione
InChI:
InChI=1S/C19H13NO5/c1-11-16(19(23)15-5-3-2-4-14(15)18(11)22)10-17(21)12-6-8-13(9-7-12)20(24)25/h2-9H,10H2,1H3
InChI Key:
HOUITNAJHFPESJ-UHFFFAOYSA-N
SMILES:
CC1=C(CC(=O)c2ccc(cc2)[N+](=O)[O-])C(=O)c2c(C1=O)cccc2
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.079g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.315g/mol
Monoisotopic Mass:
335.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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