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70024-75-8 | Decanoic acid, mixed esters with heptanoic acid, neopentyl glycol and octanoic acid
CAS No: 70024-75-8 Catalog No: AG00FN9X MDL No:
Product Description
Catalog Number:
AG00FN9X
Chemical Name:
Decanoic acid, mixed esters with heptanoic acid, neopentyl glycol and octanoic acid
CAS Number:
70024-75-8
IUPAC Name:
decanoic acid;2,2-dimethylpropane-1,3-diol;heptanoic acid;octanoic acid
InChI:
InChI=1S/C10H20O2.C8H16O2.C7H14O2.C5H12O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-2-3-4-5-6-7(8)9;1-5(2,3-6)4-7/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);2-6H2,1H3,(H,8,9);6-7H,3-4H2,1-2H3
InChI Key:
DMLCWDJJRZQNOT-UHFFFAOYSA-N
EC Number:
816-315-9
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
550.444g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
550.818g/mol
Monoisotopic Mass:
550.444g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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