3-Cyclohexene-1-carboxaldehyde, 4-(4-hydroxy-4-methylpentyl)-


Chemical Name: 3-Cyclohexene-1-carboxaldehyde, 4-(4-hydroxy-4-methylpentyl)-
CAS Number: 31906-04-4
Product Number: AG007I4W(AGN-PC-05WONF)
Synonyms:
MDL No:
Molecular Formula: C13H22O2
Molecular Weight: 210.3126

Identification/Properties


Computed Properties
Molecular Weight:
210.317g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
210.162g/mol
Monoisotopic Mass:
210.162g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
241
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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