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627-86-1 | DIOCTANOYLGLYCOL
CAS No: 627-86-1 Catalog No: AG00EA3N MDL No:
Product Description
Catalog Number:
AG00EA3N
Chemical Name:
DIOCTANOYLGLYCOL
CAS Number:
627-86-1
Molecular Formula:
C18H34O4
Molecular Weight:
314.4602
IUPAC Name:
2-octanoyloxyethyl octanoate
InChI:
InChI=1S/C18H34O4/c1-3-5-7-9-11-13-17(19)21-15-16-22-18(20)14-12-10-8-6-4-2/h3-16H2,1-2H3
InChI Key:
HTNFLUQQANUSLR-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)OCCOC(=O)CCCCCCC
NSC Number:
97300
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.246g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.466g/mol
Monoisotopic Mass:
314.246g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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