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148718-35-8 | Octadecanoic acid, hydroxy-, octyl ester
CAS No: 148718-35-8 Catalog No: AG001L57 MDL No:
Product Description
Catalog Number:
AG001L57
Chemical Name:
Octadecanoic acid, hydroxy-, octyl ester
CAS Number:
148718-35-8
Molecular Formula:
C26H52O3
Molecular Weight:
412.6893
IUPAC Name:
octyl 2-hydroxyoctadecanoate
InChI:
InChI=1S/C26H52O3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25(27)26(28)29-24-22-20-10-8-6-4-2/h25,27H,3-24H2,1-2H3
InChI Key:
XIBVSCQMDQVPNP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(C(=O)OCCCCCCCC)O
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.392g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.699g/mol
Monoisotopic Mass:
412.392g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.2
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