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70969-71-0 | Octanoic acid,2-(acetyloxy)-1-[(acetyloxy)methyl]ethyl ester
CAS No: 70969-71-0 Catalog No: AG005FJX MDL No:
Product Description
Catalog Number:
AG005FJX
Chemical Name:
Octanoic acid,2-(acetyloxy)-1-[(acetyloxy)methyl]ethyl ester
CAS Number:
70969-71-0
Molecular Formula:
C15H26O6
Molecular Weight:
302.3633
IUPAC Name:
1,3-diacetyloxypropan-2-yl octanoate
InChI:
InChI=1S/C15H26O6/c1-4-5-6-7-8-9-15(18)21-14(10-19-12(2)16)11-20-13(3)17/h14H,4-11H2,1-3H3
InChI Key:
QSCYGMBVVDDPGY-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)OC(COC(=O)C)COC(=O)C
EC Number:
275-074-2
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.367g/mol
Monoisotopic Mass:
302.173g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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