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Home > Nitro Compounds > 16616-39-0
16616-39-0 | 2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl-
CAS No: 16616-39-0 Catalog No: AG001WIU MDL No:
Product Description
Catalog Number:
AG001WIU
Chemical Name:
2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl-
CAS Number:
16616-39-0
Molecular Formula:
C15H9NO3
Molecular Weight:
251.2369
IUPAC Name:
1-(3-nitrophenyl)-3-phenylprop-2-yn-1-one
InChI:
InChI=1S/C15H9NO3/c17-15(10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(18)19/h1-8,11H
InChI Key:
JODIUOIVYGKAJH-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])C#Cc1ccccc1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.241g/mol
Monoisotopic Mass:
251.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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