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101959-29-9 | 2-Propenoic acid, 3-(4-hydroxyphenyl)-, docosyl ester, (2E)-
CAS No: 101959-29-9 Catalog No: AG000639 MDL No:
Product Description
Catalog Number:
AG000639
Chemical Name:
2-Propenoic acid, 3-(4-hydroxyphenyl)-, docosyl ester, (2E)-
CAS Number:
101959-29-9
Molecular Formula:
C31H52O3
Molecular Weight:
472.7428
IUPAC Name:
docosyl 3-(4-hydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C31H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-34-31(33)27-24-29-22-25-30(32)26-23-29/h22-27,32H,2-21,28H2,1H3
InChI Key:
PHDAMXFKBIUHBU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(cc1)O
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.392g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
472.754g/mol
Monoisotopic Mass:
472.392g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
12.8
Literature
| Title | Journal |
|---|---|
| Inhibitory effects of docosyl p-coumarate on DNA topoisomerase activity and human cancer cell growth. | International journal of oncology 20101001 |
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