2H-Pyran-4-acetic acid, tetrahydro-, ethyl ester


Chemical Name: 2H-Pyran-4-acetic acid, tetrahydro-, ethyl ester
CAS Number: 103260-44-2
Product Number: AG007HMD(AGN-PC-0KKVF1)
Synonyms:
MDL No: MFCD03788560
Molecular Formula: C9H16O3
Molecular Weight: 172.2215

Identification/Properties


Computed Properties
Molecular Weight:
172.224g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
172.11g/mol
Monoisotopic Mass:
172.11g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
139
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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