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101959-32-4 | 2-Propenoic acid, 3-(4-hydroxyphenyl)-, tetracosyl ester, (2E)-
CAS No: 101959-32-4 Catalog No: AG000637 MDL No:
Product Description
Catalog Number:
AG000637
Chemical Name:
2-Propenoic acid, 3-(4-hydroxyphenyl)-, tetracosyl ester, (2E)-
CAS Number:
101959-32-4
Molecular Formula:
C33H56O3
Molecular Weight:
500.7959
IUPAC Name:
tetracosyl 3-(4-hydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C33H56O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-36-33(35)29-26-31-24-27-32(34)28-25-31/h24-29,34H,2-23,30H2,1H3
InChI Key:
FNUQVBAOIKMXFM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(cc1)O
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.423g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
500.808g/mol
Monoisotopic Mass:
500.423g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
13.9
Literature
| Title | Journal |
|---|---|
| A new 3-arylcoumarin from the roots of an Egyptian collection of Lotus polyphyllos. | Natural product research 20080320 |
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