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Home > Nitro Compounds > 1103585-01-8
1103585-01-8 | (2E)-1-(4-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CAS No: 1103585-01-8 Catalog No: AG00JU21 MDL No:MFCD00687195
Product Description
Catalog Number:
AG00JU21
Chemical Name:
(2E)-1-(4-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CAS Number:
1103585-01-8
Molecular Formula:
C18H17NO6
Molecular Weight:
343.3307
MDL Number:
MFCD00687195
IUPAC Name:
1-(4-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C18H17NO6/c1-23-16-10-12(11-17(24-2)18(16)25-3)4-9-15(20)13-5-7-14(8-6-13)19(21)22/h4-11H,1-3H3
InChI Key:
BYKMGEQBYKFXLS-UHFFFAOYSA-N
SMILES:
COc1cc(/C=C/C(=O)c2ccc(cc2)[N+](=O)[O-])cc(c1OC)OC
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
3.4
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