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178600-20-9 | 2,4,6-Octatrienoic acid, 7-[3,5-bis(1,1-dimethylethyl)phenyl]-3-methyl-, (2E,4E,6E)-
CAS No: 178600-20-9 Catalog No: AG002663 MDL No:
Product Description
Catalog Number:
AG002663
Chemical Name:
2,4,6-Octatrienoic acid, 7-[3,5-bis(1,1-dimethylethyl)phenyl]-3-methyl-, (2E,4E,6E)-
CAS Number:
178600-20-9
Molecular Formula:
C23H32O2
Molecular Weight:
340.4990
IUPAC Name:
7-(3,5-ditert-butylphenyl)-3-methylocta-2,4,6-trienoic acid
InChI:
InChI=1S/C23H32O2/c1-16(12-21(24)25)10-9-11-17(2)18-13-19(22(3,4)5)15-20(14-18)23(6,7)8/h9-15H,1-8H3,(H,24,25)
InChI Key:
JMPZTWDLOGTBPM-UHFFFAOYSA-N
SMILES:
C/C(=C\C=C\C(=C\C(=O)O)\C)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.24g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.507g/mol
Monoisotopic Mass:
340.24g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
7.8
Literature
| Title | Journal |
|---|---|
| [Advances in studies on selective RXR ligands]. | Yao xue xue bao = Acta pharmaceutica Sinica 20050401 |
| Activity of ALRT 1550, a new retinoid, with interferon-gamma on ovarian cancer cell lines. | International journal of gynecological cancer : official journal of the International Gynecological Cancer Society 20020101 |
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