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Home > Nitro Compounds > 351339-40-7
351339-40-7 | (2E)-3-(2,5-dimethoxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
CAS No: 351339-40-7 Catalog No: AG00JU46 MDL No:MFCD01901492
Product Description
Catalog Number:
AG00JU46
Chemical Name:
(2E)-3-(2,5-dimethoxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
CAS Number:
351339-40-7
Molecular Formula:
C17H15NO5
Molecular Weight:
313.3047
MDL Number:
MFCD01901492
IUPAC Name:
3-(2,5-dimethoxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H15NO5/c1-22-15-7-9-17(23-2)13(11-15)6-8-16(19)12-4-3-5-14(10-12)18(20)21/h3-11H,1-2H3
InChI Key:
CPMXLXRYPNHVIV-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)/C=C/C(=O)c1cccc(c1)[N+](=O)[O-])OC
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.309g/mol
Monoisotopic Mass:
313.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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