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72480-00-3 | Diglycerol caprylate caprate
CAS No: 72480-00-3 Catalog No: AG005HEV MDL No:
Product Description
Catalog Number:
AG005HEV
Chemical Name:
Diglycerol caprylate caprate
CAS Number:
72480-00-3
Molecular Formula:
C24H52O10
Molecular Weight:
500.6637
IUPAC Name:
decanoic acid;octanoic acid;propane-1,2,3-triol
InChI:
InChI=1S/C10H20O2.C8H16O2.2C3H8O3/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;2*4-1-3(6)2-5/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);2*3-6H,1-2H2
InChI Key:
QRBWUMUBZNLPQD-UHFFFAOYSA-N
SMILES:
OCC(CO)O.OCC(CO)O.CCCCCCCC(=O)O.CCCCCCCCCC(=O)O
EC Number:
615-767-2
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.356g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
500.67g/mol
Monoisotopic Mass:
500.356g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
196A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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