2-[5-acetyl-3-(methoxycarbonyl)-4-methyl-1h-pyrrol-2-yl]acetic acid
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Product Code | F652633 |
---|---|
Product Name | 2-[5-acetyl-3-(methoxycarbonyl)-4-methyl-1h-pyrrol-2-yl]acetic acid |
CAS | 867329-95-1 |
Purity | 95% |
Molecular weight | 239.227 |
IUPAC Name | 2-[5-acetyl-3-(methoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]acetic acid |
SMILES | COC(=O)C1=C(CC(O)=O)NC(C(C)=O)=C1C |
INCHI Code | InChI=1S/C11H13NO5/c1-5-9(11(16)17-3)7(4-8(14)15)12-10(5)6(2)13/h12H,4H2,1-3H3,(H,14,15) |
Asymmetric atoms | 0 |
LogP | 0.6054263 |
H bond acceptors | 4 |
H bond donors | 2 |
fsp3 | 0.36363637 |
Concept Codes | Ketone, Carboxylic acid, Ester, Heterocycle, Heteroaromatic, Methyl, 5-Membered heteroaromatic, 5-Membered heterocycle, Pyrrole, Cyclic, Aromatic |