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19013-36-6 | Octadecanoic acid, 3-methoxy-, methyl ester
CAS No: 19013-36-6 Catalog No: AG002ECV MDL No:
Product Description
Catalog Number:
AG002ECV
Chemical Name:
Octadecanoic acid, 3-methoxy-, methyl ester
CAS Number:
19013-36-6
Molecular Formula:
C20H40O3
Molecular Weight:
328.5298
IUPAC Name:
methyl 3-methoxyoctadecanoate
InChI:
InChI=1S/C20H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22-2)18-20(21)23-3/h19H,4-18H2,1-3H3
InChI Key:
WOAHZSYEFOOHQB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(CC(=O)OC)OC
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.298g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.537g/mol
Monoisotopic Mass:
328.298g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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