methyl 2-(3-methoxycyclohexyl)acetate, Mixture of diastereomers


Chemical Name: methyl 2-(3-methoxycyclohexyl)acetate, Mixture of diastereomers
CAS Number: 1114554-12-9
Product Number: AG01EHT3(AG01EHT3)
Synonyms:
MDL No:
Molecular Formula: C10H18O3
Molecular Weight: 186.2481

Identification/Properties


Computed Properties
Molecular Weight:
186.251g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
186.126g/mol
Monoisotopic Mass:
186.126g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
168
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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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