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114801-87-5

114801-87-5 | Octadecanoic acid, butoxy- (9CI)

CAS No: 114801-87-5 Catalog No: AG000F99 MDL No:

Product Description

Catalog Number:
AG000F99
Chemical Name:
Octadecanoic acid, butoxy- (9CI)
CAS Number:
114801-87-5
Molecular Formula:
C22H44O3
Molecular Weight:
356.5830
IUPAC Name:
2-butoxyoctadecanoic acid
InChI:
InChI=1S/C22H44O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22(23)24)25-20-6-4-2/h21H,3-20H2,1-2H3,(H,23,24)
InChI Key:
DJAKYLOHLKALEL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(C(=O)O)OCCCC

Properties

Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.329g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
356.591g/mol
Monoisotopic Mass:
356.329g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3  

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