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141718-98-1 | Octadecanoic acid, hydroxy-, 1-methylethyl ester (9CI)
CAS No: 141718-98-1 Catalog No: AG001GX0 MDL No:
Product Description
Catalog Number:
AG001GX0
Chemical Name:
Octadecanoic acid, hydroxy-, 1-methylethyl ester (9CI)
CAS Number:
141718-98-1
Molecular Formula:
C21H42O3
Molecular Weight:
342.5564
IUPAC Name:
propan-2-yl 2-hydroxyoctadecanoate
InChI:
InChI=1S/C21H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)21(23)24-19(2)3/h19-20,22H,4-18H2,1-3H3
InChI Key:
VSRNXEQNCICBHD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(C(=O)OC(C)C)O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.313g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.564g/mol
Monoisotopic Mass:
342.313g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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