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Home > Nitro Compounds > 1321913-27-2
1321913-27-2 | (2E)-3-(3-methoxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
CAS No: 1321913-27-2 Catalog No: AG00JU4E MDL No:MFCD01901485
Product Description
Catalog Number:
AG00JU4E
Chemical Name:
(2E)-3-(3-methoxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
CAS Number:
1321913-27-2
Molecular Formula:
C16H13NO4
Molecular Weight:
283.2787
MDL Number:
MFCD01901485
IUPAC Name:
3-(3-methoxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H13NO4/c1-21-15-7-2-4-12(10-15)8-9-16(18)13-5-3-6-14(11-13)17(19)20/h2-11H,1H3
InChI Key:
ZBCOZCVPNSNSKF-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)/C=C/C(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.283g/mol
Monoisotopic Mass:
283.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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