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Home > Nitro Compounds > 18915-53-2
18915-53-2 | Propanedial, 2-(4-nitrophenyl)-
CAS No: 18915-53-2 Catalog No: AG002HYF MDL No:MFCD02261926
Product Description
Catalog Number:
AG002HYF
Chemical Name:
Propanedial, 2-(4-nitrophenyl)-
CAS Number:
18915-53-2
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
MDL Number:
MFCD02261926
IUPAC Name:
2-(4-nitrophenyl)propanedial
InChI:
InChI=1S/C9H7NO4/c11-5-8(6-12)7-1-3-9(4-2-7)10(13)14/h1-6,8H
InChI Key:
AXZKOZLDEWIJPX-UHFFFAOYSA-N
SMILES:
O=CC(c1ccc(cc1)[N+](=O)[O-])C=O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and characterization of novel 2, 2'-bipyrimidine fluorescent derivative for protein binding. | Chemistry Central journal 20110101 |
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