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114161-36-3 | Octadecanoic acid, 4,8,12-trimethyl-
CAS No: 114161-36-3 Catalog No: AG000AP3 MDL No:
Product Description
Catalog Number:
AG000AP3
Chemical Name:
Octadecanoic acid, 4,8,12-trimethyl-
CAS Number:
114161-36-3
Molecular Formula:
C21H42O2
Molecular Weight:
326.5570
IUPAC Name:
4,8,12-trimethyloctadecanoic acid
InChI:
InChI=1S/C21H42O2/c1-5-6-7-8-11-18(2)12-9-13-19(3)14-10-15-20(4)16-17-21(22)23/h18-20H,5-17H2,1-4H3,(H,22,23)
InChI Key:
UHTKDSHVHMAEDU-UHFFFAOYSA-N
SMILES:
CCCCCCC(CCCC(CCCC(CCC(=O)O)C)C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.318g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.565g/mol
Monoisotopic Mass:
326.318g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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