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141454-86-6 | Octanoic acid, 3-(3-hydroxypropoxy)propyl ester
CAS No: 141454-86-6 Catalog No: AG001GFG MDL No:
Product Description
Catalog Number:
AG001GFG
Chemical Name:
Octanoic acid, 3-(3-hydroxypropoxy)propyl ester
CAS Number:
141454-86-6
Molecular Formula:
C14H28O4
Molecular Weight:
260.3697
IUPAC Name:
3-(3-hydroxypropoxy)propyl octanoate
InChI:
InChI=1S/C14H28O4/c1-2-3-4-5-6-9-14(16)18-13-8-12-17-11-7-10-15/h15H,2-13H2,1H3
InChI Key:
OSDRUXZECLMCBK-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)OCCCOCCCO
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.199g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.374g/mol
Monoisotopic Mass:
260.199g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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