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144705-42-0 | Octadecanoic acid, 4-methoxy-2-(3-methyl-2-buten-1-yl)phenyl ester
CAS No: 144705-42-0 Catalog No: AG001K1N MDL No:
Product Description
Catalog Number:
AG001K1N
Chemical Name:
Octadecanoic acid, 4-methoxy-2-(3-methyl-2-buten-1-yl)phenyl ester
CAS Number:
144705-42-0
Molecular Formula:
C30H50O3
Molecular Weight:
458.7162
IUPAC Name:
[4-methoxy-2-(3-methylbut-2-enyl)phenyl] octadecanoate
InChI:
InChI=1S/C30H50O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(31)33-29-24-23-28(32-4)25-27(29)22-21-26(2)3/h21,23-25H,5-20,22H2,1-4H3
InChI Key:
WCHBGKQYCCDTHQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1CC=C(C)C)OC
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.376g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.727g/mol
Monoisotopic Mass:
458.376g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12
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