2,4-Pentadienoic acid, 5-(1,3-benzodioxol-5-yl)-, (2E,4E)-


Chemical Name: 2,4-Pentadienoic acid, 5-(1,3-benzodioxol-5-yl)-, (2E,4E)-
CAS Number: 136-72-1
Product Number: AG0070JY(AGN-PC-0O1B0L)
Synonyms:
MDL No:
Molecular Formula: C12H10O4
Molecular Weight: 218.2054

Identification/Properties


Computed Properties
Molecular Weight:
218.208g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
218.058g/mol
Monoisotopic Mass:
218.058g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
308
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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