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155623-46-4 | Hexadecanoic acid, 2-(4-hydroxyphenyl)ethyl ester
CAS No: 155623-46-4 Catalog No: AG001O2Q MDL No:
Product Description
Catalog Number:
AG001O2Q
Chemical Name:
Hexadecanoic acid, 2-(4-hydroxyphenyl)ethyl ester
CAS Number:
155623-46-4
Molecular Formula:
C24H40O3
Molecular Weight:
376.5726
IUPAC Name:
2-(4-hydroxyphenyl)ethyl hexadecanoate
InChI:
InChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(26)27-21-20-22-16-18-23(25)19-17-22/h16-19,25H,2-15,20-21H2,1H3
InChI Key:
DFQXRQNVYVMYAU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)OCCc1ccc(cc1)O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.298g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.581g/mol
Monoisotopic Mass:
376.298g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
Literature
| Title | Journal |
|---|---|
| New phenylethanoids from Buddleja cordata subsp. cordata. | Planta medica 20000401 |
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