Chemical ID: 4280806

CCOC(=O)c1c(c(c([nH]1)COC)C(=O)C)C
Chemical ID:
4280806
Name [?]:
ethyl 4-acetyl-5-(methoxymethyl)-3-methyl-1H-pyrrole-2-carboxylate
SMILES [?]:
CCOC(=O)c1c(c(c([nH]1)COC)C(=O)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H17NO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.97389
Area:447.858
Solvation:-4.22257
Coulombic:-45.7922
Bond Count [?]
All:17
Single:13
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:239.268
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.81
LogP (Chemaxon):-0.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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