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Home > Nitro Compounds > 15875-60-2
15875-60-2 | 1H-Indene-1,3(2H)-dione, 2-[(4-nitrophenyl)methylene]-
CAS No: 15875-60-2 Catalog No: AG001QUD MDL No:
Product Description
Catalog Number:
AG001QUD
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-[(4-nitrophenyl)methylene]-
CAS Number:
15875-60-2
Molecular Formula:
C16H9NO4
Molecular Weight:
279.2470
IUPAC Name:
2-[(4-nitrophenyl)methylidene]indene-1,3-dione
InChI:
InChI=1S/C16H9NO4/c18-15-12-3-1-2-4-13(12)16(19)14(15)9-10-5-7-11(8-6-10)17(20)21/h1-9H
InChI Key:
DFDZATIUTSXUPX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C=C1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.053g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.251g/mol
Monoisotopic Mass:
279.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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