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Home > Nitro Compounds > 2059970-32-8
2059970-32-8 | 2-(2-nitrophenyl)-3-oxopentanenitrile
CAS No: 2059970-32-8 Catalog No: AG01BP34 MDL No:MFCD30499843
Product Description
Catalog Number:
AG01BP34
Chemical Name:
2-(2-nitrophenyl)-3-oxopentanenitrile
CAS Number:
2059970-32-8
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD30499843
IUPAC Name:
2-(2-nitrophenyl)-3-oxopentanenitrile
InChI:
InChI=1S/C11H10N2O3/c1-2-11(14)9(7-12)8-5-3-4-6-10(8)13(15)16/h3-6,9H,2H2,1H3
InChI Key:
JEBWEZDMINZQGB-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1[N+](=O)[O-])C(=O)CC
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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