Chemical ID: 5581729

CCOC(=O)c1c(c(c([nH]1)C=O)C(=O)C)C
Chemical ID:
5581729
Name [?]:
ethyl 4-acetyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylate
SMILES [?]:
CCOC(=O)c1c(c(c([nH]1)C=O)C(=O)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H13NO4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.51338
Area:420.073
Solvation:-3.98844
Coulombic:-44.7873
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:223.225
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.8
LogP (Chemaxon):-0.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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