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Home > Nitro Compounds > 89474-88-4
89474-88-4 | 4-Hexenoic acid, 2,4-diethyl-, 4-nitrophenyl ester, (E)-
CAS No: 89474-88-4 Catalog No: AG00426H MDL No:
Product Description
Catalog Number:
AG00426H
Chemical Name:
4-Hexenoic acid, 2,4-diethyl-, 4-nitrophenyl ester, (E)-
CAS Number:
89474-88-4
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
IUPAC Name:
(4-nitrophenyl) 2,4-diethylhex-4-enoate
InChI:
InChI=1S/C16H21NO4/c1-4-12(5-2)11-13(6-3)16(18)21-15-9-7-14(8-10-15)17(19)20/h4,7-10,13H,5-6,11H2,1-3H3
InChI Key:
XKFNEUCVUOGOFK-UHFFFAOYSA-N
SMILES:
CCC(C(=O)Oc1ccc(cc1)[N+](=O)[O-])C/C(=C/C)/CC
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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