ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate


Chemical Name: ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CAS Number: 54278-10-3
Product Number: AG003Q2D(AGN-PC-0JPC89)
Synonyms:
MDL No: MFCD00010644
Molecular Formula: C14H21NO4
Molecular Weight: 267.3208

Identification/Properties


Properties
MP:
75-77 °C
BP:
389.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
267.325g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
8
Exact Mass:
267.147g/mol
Monoisotopic Mass:
267.147g/mol
Topological Polar Surface Area:
68.4A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
319
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

Safety Information


NMR Spectrum


PNMR/Ethyl_24-dimethyl-5-ethoxycarbonyl-3-pyrrolepropionate-54278-10-3-hnmr.pdf

Other Analytical Data


POTHER/Ethyl_24-dimethyl-5-ethoxycarbonyl-3-pyrrolepropionate-54278-10-3-hplc.pdf

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