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Home > Nitro Compounds > 1164523-33-4
1164523-33-4 | (2E)-1-(3-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CAS No: 1164523-33-4 Catalog No: AG00JU4R MDL No:MFCD00115244
Product Description
Catalog Number:
AG00JU4R
Chemical Name:
(2E)-1-(3-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CAS Number:
1164523-33-4
Molecular Formula:
C18H17NO6
Molecular Weight:
343.3307
MDL Number:
MFCD00115244
IUPAC Name:
(E)-1-(3-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C18H17NO6/c1-23-16-9-12(10-17(24-2)18(16)25-3)7-8-15(20)13-5-4-6-14(11-13)19(21)22/h4-11H,1-3H3/b8-7+
InChI Key:
OYCXONLNNCKOQR-BQYQJAHWSA-N
SMILES:
COc1cc(/C=C/C(=O)c2cccc(c2)[N+](=O)[O-])cc(c1OC)OC
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
343.106g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.335g/mol
Monoisotopic Mass:
343.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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