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Home > Nitro Compounds > 101600-98-0
101600-98-0 | 1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)-
CAS No: 101600-98-0 Catalog No: AG0004YV MDL No:
Product Description
Catalog Number:
AG0004YV
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)-
CAS Number:
101600-98-0
Molecular Formula:
C17H13NO4
Molecular Weight:
295.2894
IUPAC Name:
2-(2-nitro-1-phenylethyl)indene-1,3-dione
InChI:
InChI=1S/C17H13NO4/c19-16-12-8-4-5-9-13(12)17(20)15(16)14(10-18(21)22)11-6-2-1-3-7-11/h1-9,14-15H,10H2
InChI Key:
SMAFPFWGQFAKRT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(C1C(=O)c2c(C1=O)cccc2)c1ccccc1
NSC Number:
337984
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.294g/mol
Monoisotopic Mass:
295.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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