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Home > Nitro Compounds > 17408-15-0
17408-15-0 | 1-Propanone, 1-(2-nitrophenyl)-
CAS No: 17408-15-0 Catalog No: AG001ZFY MDL No:MFCD12031482
Product Description
Catalog Number:
AG001ZFY
Chemical Name:
1-Propanone, 1-(2-nitrophenyl)-
CAS Number:
17408-15-0
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD12031482
IUPAC Name:
1-(2-nitrophenyl)propan-1-one
InChI:
InChI=1S/C9H9NO3/c1-2-9(11)7-5-3-4-6-8(7)10(12)13/h3-6H,2H2,1H3
InChI Key:
IRECTDZFQAWHEC-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccccc1[N+](=O)[O-]
NSC Number:
90987
Properties
Complexity:
209
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:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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