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70693-32-2 | Decanoic acid, mixed esters with neopentyl glycol and octanoic acid
CAS No: 70693-32-2 Catalog No: AG00FN9V MDL No:
Product Description
Catalog Number:
AG00FN9V
Chemical Name:
Decanoic acid, mixed esters with neopentyl glycol and octanoic acid
CAS Number:
70693-32-2
IUPAC Name:
decanoic acid;2,2-dimethylpropane-1,3-diol;octanoic acid
InChI:
InChI=1S/C10H20O2.C8H16O2.C5H12O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-5(2,3-6)4-7/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);6-7H,3-4H2,1-2H3
InChI Key:
PDYOTPOJFZAOIS-UHFFFAOYSA-N
EC Number:
274-764-0
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.345g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
420.631g/mol
Monoisotopic Mass:
420.345g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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