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Home > Aldehydes > 133473-26-4
133473-26-4 | 3-(2-NITRO-PHENYL)-PROPIONALDEHYDE
CAS No: 133473-26-4 Catalog No: AG007NDF MDL No:
Product Description
Catalog Number:
AG007NDF
Chemical Name:
3-(2-NITRO-PHENYL)-PROPIONALDEHYDE
CAS Number:
133473-26-4
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
IUPAC Name:
3-(2-nitrophenyl)propanal
InChI:
InChI=1S/C9H9NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-2,4,6-7H,3,5H2
InChI Key:
UDBDZQOKDJEJIL-UHFFFAOYSA-N
SMILES:
O=CCCc1ccccc1[N+](=O)[O-]
Properties
Complexity:
188
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:
1.6
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