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89182-68-3 | 2,5-dimethylhexane-1,6-diyl diacetate
CAS No: 89182-68-3 Catalog No: AG003WKV MDL No:
Product Description
Catalog Number:
AG003WKV
Chemical Name:
2,5-dimethylhexane-1,6-diyl diacetate
CAS Number:
89182-68-3
Molecular Formula:
C12H22O4
Molecular Weight:
230.3007
IUPAC Name:
(6-acetyloxy-2,5-dimethylhexyl) acetate
InChI:
InChI=1S/C12H22O4/c1-9(7-15-11(3)13)5-6-10(2)8-16-12(4)14/h9-10H,5-8H2,1-4H3
InChI Key:
YQQPADUOKRFGKM-UHFFFAOYSA-N
SMILES:
CC(COC(=O)C)CCC(COC(=O)C)C
NSC Number:
97568
Properties
Complexity:
201
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:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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