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140868-40-2 | Hexadecanoic acid, 2-(6,9-dihydroxyundecyl)-
CAS No: 140868-40-2 Catalog No: AG001CXZ MDL No:
Product Description
Catalog Number:
AG001CXZ
Chemical Name:
Hexadecanoic acid, 2-(6,9-dihydroxyundecyl)-
CAS Number:
140868-40-2
Molecular Formula:
C27H54O4
Molecular Weight:
442.7153
IUPAC Name:
2-(6,9-dihydroxyundecyl)hexadecanoic acid
InChI:
InChI=1S/C27H54O4/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-24(27(30)31)20-17-15-18-21-26(29)23-22-25(28)4-2/h24-26,28-29H,3-23H2,1-2H3,(H,30,31)
InChI Key:
AMNFMQPLYBQVDU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC(C(=O)O)CCCCCC(CCC(CC)O)O
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.402g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
442.725g/mol
Monoisotopic Mass:
442.402g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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