Pentanal, 4-(acetyloxy)-4-methyl-


Chemical Name: Pentanal, 4-(acetyloxy)-4-methyl-
CAS Number: 110086-93-6
Product Number: AG007VXP(AGN-PC-09ROXW)
Synonyms:
MDL No:
Molecular Formula: C8H14O3
Molecular Weight: 158.1950

Identification/Properties


Computed Properties
Molecular Weight:
158.197g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
158.094g/mol
Monoisotopic Mass:
158.094g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
149
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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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