Chemical Properties of 1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-nitro-, ethyl ester (CAS 5463-44-5)

1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-nitro-, ethyl ester

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InChI
InChI=1S/C9H12N2O4/c1-4-15-9(12)7-5(2)8(11(13)14)6(3)10-7/h10H,4H2,1-3H3
InChI Key
AZGXAAUDJWAVHF-UHFFFAOYSA-N
Formula
C9H12N2O4
SMILES
CCOC(=O)c1[nH]c(C)c([N+](=O)[O-])c1C
Molecular Weight1
212.20
CAS
5463-44-5
Other Names
  • Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-nitro-, ethyl ester
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Physical Properties

Property Value Unit Source
IE 8.76 eV NIST
log10WS -2.95 Crippen Calculated Property
logPoct/wat 1.235 Crippen Calculated Property
McVol 153.050 ml/mol McGowan Calculated Property

Similar Compounds

Oxycodone TMS derivative. 5-Pregnen-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS. Oxycodone. Yohimbine. Nalmefene, bis(trifluoroacetate). Naloxone. Naltrexone. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Oxymorphone, bis(trimethylsilyl) ether. Oxymorphone. Naloxone, bis(trimethylsilyl) ether. 5-Pregnen-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS. Ibogaine. Nalbuphine, O,O,O-tris(trimethylsilyl) deriv.. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5«alpha»)-.

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Sources

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