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Home > Nitro Compounds > 183018-46-4
183018-46-4 | 2-Propenal, 3-(2,4-dinitrophenyl)-
CAS No: 183018-46-4 Catalog No: AG0024CL MDL No:
Product Description
Catalog Number:
AG0024CL
Chemical Name:
2-Propenal, 3-(2,4-dinitrophenyl)-
CAS Number:
183018-46-4
Molecular Formula:
C9H6N2O5
Molecular Weight:
222.1543
IUPAC Name:
3-(2,4-dinitrophenyl)prop-2-enal
InChI:
InChI=1S/C9H6N2O5/c12-5-1-2-7-3-4-8(10(13)14)6-9(7)11(15)16/h1-6H
InChI Key:
NOFZQFGFJQQHKH-UHFFFAOYSA-N
SMILES:
O=CC=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.156g/mol
Monoisotopic Mass:
222.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Influence of caffeine on allyl alcohol-induced hepatotoxicity in rats. I. In vivo study. | Journal of environmental pathology, toxicology and oncology : official organ of the International Society for Environmental Toxicology and Cancer 20010101 |
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