2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one


Chemical Name: 2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one
CAS Number: 34565-32-7
Product Number: AG00CLWA(AGN-PC-00ILXE)
Synonyms:
MDL No: MFCD11111616
Molecular Formula: C11H18O4
Molecular Weight: 214.2582

Identification/Properties


Computed Properties
Molecular Weight:
214.261g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
214.121g/mol
Monoisotopic Mass:
214.121g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
247
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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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