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80793-24-4

80793-24-4 | 3-(4-NITRO-PHENYL)-PROPIONALDEHYDE

CAS No: 80793-24-4 Catalog No: AG0057XL MDL No:

Product Description

Catalog Number:
AG0057XL
Chemical Name:
3-(4-NITRO-PHENYL)-PROPIONALDEHYDE
CAS Number:
80793-24-4
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
IUPAC Name:
3-(4-nitrophenyl)propanal
InChI:
InChI=1S/C9H9NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h3-7H,1-2H2
InChI Key:
XEVAHIITWCRKEB-UHFFFAOYSA-N
SMILES:
O=CCCc1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Literature

Title Journal
Photochemical synthesis of aldehydes in the solid phase. The Journal of organic chemistry 20020419

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