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Home > Nitro Compounds > 89023-12-1
89023-12-1 | 2-Propenoic acid, 3-[4-(octadecyloxy)phenyl]-, 4-nitrophenyl ester, (E)-
CAS No: 89023-12-1 Catalog No: AG0044CK MDL No:
Product Description
Catalog Number:
AG0044CK
Chemical Name:
2-Propenoic acid, 3-[4-(octadecyloxy)phenyl]-, 4-nitrophenyl ester, (E)-
CAS Number:
89023-12-1
Molecular Formula:
C33H47NO5
Molecular Weight:
537.7300
IUPAC Name:
(4-nitrophenyl) 3-(4-octadecoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C33H47NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-38-31-23-18-29(19-24-31)20-27-33(35)39-32-25-21-30(22-26-32)34(36)37/h18-27H,2-17,28H2,1H3
InChI Key:
MHHCIQOPGBSFSX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOc1ccc(cc1)/C=C/C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
537.345g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
537.741g/mol
Monoisotopic Mass:
537.345g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
12.4
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