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Home > Nitro Compounds > 1061636-59-6
1061636-59-6 | (2E)-3-(4-tert-butylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
CAS No: 1061636-59-6 Catalog No: AG00JU47 MDL No:MFCD04596950
Product Description
Catalog Number:
AG00JU47
Chemical Name:
(2E)-3-(4-tert-butylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
CAS Number:
1061636-59-6
Molecular Formula:
C19H19NO3
Molecular Weight:
309.3591
MDL Number:
MFCD04596950
IUPAC Name:
(E)-3-(4-tert-butylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C19H19NO3/c1-19(2,3)16-10-7-14(8-11-16)9-12-18(21)15-5-4-6-17(13-15)20(22)23/h4-13H,1-3H3/b12-9+
InChI Key:
FYRYPSLSUAPZQG-FMIVXFBMSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])/C=C/c1ccc(cc1)C(C)(C)C
Properties
Complexity:
450
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:
4
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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