3-acetyloxy-4-methoxy-4-oxobutanoic acid


Chemical Name: 3-acetyloxy-4-methoxy-4-oxobutanoic acid
CAS Number: 20226-93-1
Product Number: AG00C2RD(AGN-PC-00FSI8)
Synonyms:
MDL No:
Molecular Formula: C7H10O6
Molecular Weight: 190.1507

Identification/Properties


Computed Properties
Molecular Weight:
190.151g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
6
Exact Mass:
190.048g/mol
Monoisotopic Mass:
190.048g/mol
Topological Polar Surface Area:
89.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
221
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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