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190075-51-5 | Hexadecanoic acid, 12-methoxy-, methyl ester
CAS No: 190075-51-5 Catalog No: AG002EBF MDL No:
Product Description
Catalog Number:
AG002EBF
Chemical Name:
Hexadecanoic acid, 12-methoxy-, methyl ester
CAS Number:
190075-51-5
Molecular Formula:
C18H36O3
Molecular Weight:
300.4766
IUPAC Name:
methyl 12-methoxyhexadecanoate
InChI:
InChI=1S/C18H36O3/c1-4-5-14-17(20-2)15-12-10-8-6-7-9-11-13-16-18(19)21-3/h17H,4-16H2,1-3H3
InChI Key:
YYROUAISVGVRFR-UHFFFAOYSA-N
SMILES:
CCCCC(CCCCCCCCCCC(=O)OC)OC
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.266g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.483g/mol
Monoisotopic Mass:
300.266g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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