4-Pentynoic acid, 2-(acetylamino)-, ethyl ester


Chemical Name: 4-Pentynoic acid, 2-(acetylamino)-, ethyl ester
CAS Number: 23235-05-4
Product Number: AG002MLY(AGN-PC-00FARE)
Synonyms:
MDL No:
Molecular Formula: C9H13NO3
Molecular Weight: 183.2044

Identification/Properties


Computed Properties
Molecular Weight:
183.207g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
183.09g/mol
Monoisotopic Mass:
183.09g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
239
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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