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3992-48-1 | 1,8-OCTANEDIOL DIACETATE
CAS No: 3992-48-1 Catalog No: AG003DSD MDL No:MFCD01861294
Product Description
Catalog Number:
AG003DSD
Chemical Name:
1,8-OCTANEDIOL DIACETATE
CAS Number:
3992-48-1
MDL Number:
MFCD01861294
IUPAC Name:
8-acetyloxyoctyl acetate
InChI:
InChI=1S/C12H22O4/c1-11(13)15-9-7-5-3-4-6-8-10-16-12(2)14/h3-10H2,1-2H3
InChI Key:
MDHIGESKEUQAEO-UHFFFAOYSA-N
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.304g/mol
Monoisotopic Mass:
230.152g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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