2-(10-hydroxydecyl)-6-methoxy-3-methyl-5-(trideuteriomethoxy)cyclohexa-2,5-diene-1,4-dione


Chemical Name: 2-(10-hydroxydecyl)-6-methoxy-3-methyl-5-(trideuteriomethoxy)cyclohexa-2,5-diene-1,4-dione
CAS Number: 58186-27-9
Product Number: AG00IACU(AGN-PC-07Y4NT)
Synonyms:
MDL No:
Molecular Formula: C19H30O5
Molecular Weight: 338.4385

Identification/Properties


Computed Properties
Molecular Weight:
338.444g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
12
Exact Mass:
338.209g/mol
Monoisotopic Mass:
338.209g/mol
Topological Polar Surface Area:
72.8A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
502
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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