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Home > Nitro Compounds > 89807-59-0
89807-59-0 | 2-Penten-1-one, 4-methyl-1-(3-nitrophenyl)-5-phenyl-
CAS No: 89807-59-0 Catalog No: AG003Y9Z MDL No:
Product Description
Catalog Number:
AG003Y9Z
Chemical Name:
2-Penten-1-one, 4-methyl-1-(3-nitrophenyl)-5-phenyl-
CAS Number:
89807-59-0
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
4-methyl-1-(3-nitrophenyl)-5-phenylpent-2-en-1-one
InChI:
InChI=1S/C18H17NO3/c1-14(12-15-6-3-2-4-7-15)10-11-18(20)16-8-5-9-17(13-16)19(21)22/h2-11,13-14H,12H2,1H3
InChI Key:
BYHOXSVTUSFPPW-UHFFFAOYSA-N
SMILES:
CC(Cc1ccccc1)C=CC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
407
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:
5
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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