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Home > Nitro Compounds > 89023-10-9
89023-10-9 | 2-Propenoic acid, 3-[4-(tetradecyloxy)phenyl]-, 4-nitrophenyl ester, (E)-
CAS No: 89023-10-9 Catalog No: AG0044CL MDL No:
Product Description
Catalog Number:
AG0044CL
Chemical Name:
2-Propenoic acid, 3-[4-(tetradecyloxy)phenyl]-, 4-nitrophenyl ester, (E)-
CAS Number:
89023-10-9
Molecular Formula:
C29H39NO5
Molecular Weight:
481.6237
IUPAC Name:
(4-nitrophenyl) 3-(4-tetradecoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C29H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-24-34-27-19-14-25(15-20-27)16-23-29(31)35-28-21-17-26(18-22-28)30(32)33/h14-23H,2-13,24H2,1H3
InChI Key:
QKSARUYEMZTWOE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOc1ccc(cc1)/C=C/C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.283g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
481.633g/mol
Monoisotopic Mass:
481.283g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
10.2
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