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Home > Nitro Compounds > 21497-13-2
21497-13-2 | 4-[(2E)-3-(4-Nitrophenyl)prop-2-enoyl]morpholine
CAS No: 21497-13-2 Catalog No: AG00I45X MDL No:MFCD00578514
Product Description
Catalog Number:
AG00I45X
Chemical Name:
4-[(2E)-3-(4-Nitrophenyl)prop-2-enoyl]morpholine
CAS Number:
21497-13-2
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
MDL Number:
MFCD00578514
IUPAC Name:
1-morpholin-4-yl-3-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C13H14N2O4/c16-13(14-7-9-19-10-8-14)6-3-11-1-4-12(5-2-11)15(17)18/h1-6H,7-10H2
InChI Key:
LJCIHENDXKURCU-UHFFFAOYSA-N
SMILES:
O=C(N1CCOCC1)/C=C/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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