2,5-Hexadienoic acid, 3-methoxy-5-methyl-4-oxo-


Chemical Name: 2,5-Hexadienoic acid, 3-methoxy-5-methyl-4-oxo-
CAS Number: 90-65-3
Product Number: AG00VQYM(AGN-PC-0JK7VH)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Computed Properties
Molecular Weight:
170.164g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
170.058g/mol
Monoisotopic Mass:
170.058g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
250
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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