Pentanal, 4-methyl-


Chemical Name: Pentanal, 4-methyl-
CAS Number: 1119-16-0
Product Number: AG00388Q(AGN-PC-0JK5II)
Synonyms:
MDL No:
Molecular Formula: C6H12O
Molecular Weight: 100.1589

Identification/Properties


Computed Properties
Molecular Weight:
100.161g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
100.089g/mol
Monoisotopic Mass:
100.089g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
48.1
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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