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Home > Nitro Compounds > 827319-24-4
827319-24-4 | 2-Propyn-1-one, 1-phenyl-3-(2,3,5,6-tetramethyl-4-nitrophenyl)-
CAS No: 827319-24-4 Catalog No: AG004UXH MDL No:
Product Description
Catalog Number:
AG004UXH
Chemical Name:
2-Propyn-1-one, 1-phenyl-3-(2,3,5,6-tetramethyl-4-nitrophenyl)-
CAS Number:
827319-24-4
Molecular Formula:
C19H17NO3
Molecular Weight:
307.3432
IUPAC Name:
1-phenyl-3-(2,3,5,6-tetramethyl-4-nitrophenyl)prop-2-yn-1-one
InChI:
InChI=1S/C19H17NO3/c1-12-14(3)19(20(22)23)15(4)13(2)17(12)10-11-18(21)16-8-6-5-7-9-16/h5-9H,1-4H3
InChI Key:
NWKOFXMVEKSTAU-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)C#Cc1c(C)c(C)c(c(c1C)C)[N+](=O)[O-]
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.349g/mol
Monoisotopic Mass:
307.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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