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141-38-8 | 2-Oxiraneoctanoic acid, 3-octyl-, 2-ethylhexyl ester
CAS No: 141-38-8 Catalog No: AG001FQR MDL No:
Product Description
Catalog Number:
AG001FQR
Chemical Name:
2-Oxiraneoctanoic acid, 3-octyl-, 2-ethylhexyl ester
CAS Number:
141-38-8
Molecular Formula:
C26H50O3
Molecular Weight:
410.6734
IUPAC Name:
2-ethylhexyl 8-(3-octyloxiran-2-yl)octanoate
InChI:
InChI=1S/C26H50O3/c1-4-7-9-10-12-15-19-24-25(29-24)20-16-13-11-14-17-21-26(27)28-22-23(6-3)18-8-5-2/h23-25H,4-22H2,1-3H3
InChI Key:
PUYRISKXBBQECH-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC
EC Number:
205-482-8
UNII:
S19L3MD8ZW
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.376g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.683g/mol
Monoisotopic Mass:
410.376g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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