2-Butenoic acid, 3-methyl-,(1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester


Chemical Name: 2-Butenoic acid, 3-methyl-,(1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester
CAS Number: 24502-79-2
Product Number: AG002OCS(AGN-PC-0R0B82)
Synonyms:
MDL No:
Molecular Formula: C21H22O6
Molecular Weight: 370.3958

Identification/Properties


Properties
MP:
103°C
BP:
587.3°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
370.401g/mol
XLogP3:
5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
6
Exact Mass:
370.142g/mol
Monoisotopic Mass:
370.142g/mol
Topological Polar Surface Area:
101A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
706
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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