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102253-41-8 | Octadecanoic acid, 2,2-dimethylpropyl ester
CAS No: 102253-41-8 Catalog No: AG00071J MDL No:
Product Description
Catalog Number:
AG00071J
Chemical Name:
Octadecanoic acid, 2,2-dimethylpropyl ester
CAS Number:
102253-41-8
Molecular Formula:
C23H46O2
Molecular Weight:
354.6101
IUPAC Name:
2,2-dimethylpropyl octadecanoate
InChI:
InChI=1S/C23H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)25-21-23(2,3)4/h5-21H2,1-4H3
InChI Key:
KKIJZWOPMWEAIV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC(C)(C)C
NSC Number:
9031
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.35g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.619g/mol
Monoisotopic Mass:
354.35g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.3
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