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Home > Nitro Compounds > 132593-66-9
132593-66-9 | 2-Propen-1-one, 3-(3-nitrophenyl)-1-(2,4,6-trimethylphenyl)-
CAS No: 132593-66-9 Catalog No: AG0010V8 MDL No:
Product Description
Catalog Number:
AG0010V8
Chemical Name:
2-Propen-1-one, 3-(3-nitrophenyl)-1-(2,4,6-trimethylphenyl)-
CAS Number:
132593-66-9
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
3-(3-nitrophenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C18H17NO3/c1-12-9-13(2)18(14(3)10-12)17(20)8-7-15-5-4-6-16(11-15)19(21)22/h4-11H,1-3H3
InChI Key:
COYZCLWLBGOADT-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)C(=O)C=Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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