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Home > Nitro Compounds > 175205-30-8
175205-30-8 | 2-Propen-1-one, 1-[4-(2-methylpropyl)phenyl]-3-(3-nitrophenyl)-
CAS No: 175205-30-8 Catalog No: AG0020O8 MDL No:MFCD00068086
Product Description
Catalog Number:
AG0020O8
Chemical Name:
2-Propen-1-one, 1-[4-(2-methylpropyl)phenyl]-3-(3-nitrophenyl)-
CAS Number:
175205-30-8
Molecular Formula:
C19H19NO3
Molecular Weight:
309.3591
MDL Number:
MFCD00068086
IUPAC Name:
(E)-1-[4-(2-methylpropyl)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C19H19NO3/c1-14(2)12-16-6-9-17(10-7-16)19(21)11-8-15-4-3-5-18(13-15)20(22)23/h3-11,13-14H,12H2,1-2H3/b11-8+
InChI Key:
FCKXLIVUBCYENE-DHZHZOJOSA-N
SMILES:
CC(Cc1ccc(cc1)C(=O)C=Cc1cccc(c1)[N+](=O)[O-])C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
309.136g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.365g/mol
Monoisotopic Mass:
309.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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