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Home > Nitro Compounds > 101616-76-6
101616-76-6 | 2-Pentenoic acid, 3-(3-nitrophenyl)-4-oxo-, ethyl ester
CAS No: 101616-76-6 Catalog No: AG0004ZG MDL No:
Product Description
Catalog Number:
AG0004ZG
Chemical Name:
2-Pentenoic acid, 3-(3-nitrophenyl)-4-oxo-, ethyl ester
CAS Number:
101616-76-6
Molecular Formula:
C13H13NO5
Molecular Weight:
263.2460
IUPAC Name:
ethyl 3-(3-nitrophenyl)-4-oxopent-2-enoate
InChI:
InChI=1S/C13H13NO5/c1-3-19-13(16)8-12(9(2)15)10-5-4-6-11(7-10)14(17)18/h4-8H,3H2,1-2H3
InChI Key:
YUZHLISFSYQLOI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C(c1cccc(c1)[N+](=O)[O-])C(=O)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.249g/mol
Monoisotopic Mass:
263.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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