Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2S,3S)-


Chemical Name: Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2S,3S)-
CAS Number: 32634-68-7
Product Number: AG0032AX(AGN-PC-0O8XQG)
Synonyms:
MDL No:
Molecular Formula: C20H18O8
Molecular Weight: 386.3521

Identification/Properties


Properties
MP:
169-171 °C(lit.);
BP:
626.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
139 ° (C=1, EtOH)
Computed Properties
Molecular Weight:
386.356g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
9
Exact Mass:
386.1g/mol
Monoisotopic Mass:
386.1g/mol
Topological Polar Surface Area:
127A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
533
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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