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125003-14-7 | Docosanoic acid, (2E)-3-(4-hydroxyphenyl)-2-propen-1-yl ester
CAS No: 125003-14-7 Catalog No: AG000MYW MDL No:
Product Description
Catalog Number:
AG000MYW
Chemical Name:
Docosanoic acid, (2E)-3-(4-hydroxyphenyl)-2-propen-1-yl ester
CAS Number:
125003-14-7
Molecular Formula:
C31H52O3
Molecular Weight:
472.7428
IUPAC Name:
3-(4-hydroxyphenyl)prop-2-enyl docosanoate
InChI:
InChI=1S/C31H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31(33)34-28-21-22-29-24-26-30(32)27-25-29/h21-22,24-27,32H,2-20,23,28H2,1H3
InChI Key:
VNCVKIMHIFSCMV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)OC/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:
12.5
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