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Chem 3 Methyl 1h Pyrrole 2 Carboxylicacid Dsrpl | Cheminformatics
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3-methyl-1H-pyrrole-2-carboxylicAcid


  • SKU Code: CH141216
Chemical Name - 3-methyl-1H-pyrrole-2-carboxylicAcid
Mol Weight - 125.127
Smiles - Cc1c(C(O)=O)[nH]cc1
Property Name Property Value
Mol Name3-methyl-1H-pyrrole-2-carboxylicAcid
Molweight125.127
Monoisotopic Mass125.047679
Clogp0.2651
Clogs-1.021
H Acceptors3
H Donors2
Total Surface Area99.19
Relative Psa0.40458
Polar Surface Area53.09
Druglikeness2.0979
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.55556
Molecular Flexibility0.31037
Molecular Complexity0.80472
Fragments1
Non H Atoms9
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms5
Sp3 Atoms2
Aromatic Nitrogens1
Acidic Oxygens1
SmilesCc1c(C(O)=O)[nH]cc1
InChIKeyInChI=1S/C6H7NO2/c1-4-2-3-7-5(4)6(8)9/h2-3,7H,1H3,(H,8,9)
InChIYIVHOQIKHMTVRG-UHFFFAOYSA-N

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1 - 3-methyl-1H-pyrrole-2-carboxylicAcid
2 - 3-methyl-1H-pyrrole-2-carboxylicAcid
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