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Home > Nitro Compounds > 89023-07-4
89023-07-4 | 2-Propenoic acid, 3-[4-(octyloxy)phenyl]-, 4-nitrophenyl ester, (E)-
CAS No: 89023-07-4 Catalog No: AG0042RY MDL No:
Product Description
Catalog Number:
AG0042RY
Chemical Name:
2-Propenoic acid, 3-[4-(octyloxy)phenyl]-, 4-nitrophenyl ester, (E)-
CAS Number:
89023-07-4
Molecular Formula:
C23H27NO5
Molecular Weight:
397.4642
IUPAC Name:
(4-nitrophenyl) 3-(4-octoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C23H27NO5/c1-2-3-4-5-6-7-18-28-21-13-8-19(9-14-21)10-17-23(25)29-22-15-11-20(12-16-22)24(26)27/h8-17H,2-7,18H2,1H3
InChI Key:
MFUKBFSBJWZIPV-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)/C=C/C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.189g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.471g/mol
Monoisotopic Mass:
397.189g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7
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