4-ethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid - CAS 80709-74-6
Catalog: |
BB065802 |
Product Name: |
4-ethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid |
CAS: |
80709-74-6 |
Synonyms: |
4-ethyl-4h-furo[3,2-b]pyrrole-5-carboxylic acid; 4-ethylfuro[3,2-b]pyrrole-5-carboxylic acid |
IUPAC Name: | 4-ethylfuro[3,2-b]pyrrole-5-carboxylic acid |
Description: | 4-ethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid (cas# 80709-74-6) is a useful research chemical. |
Molecular Weight: | 179.17 |
Molecular Formula: | C9H9NO3 |
Canonical SMILES: | CCN1C2=C(C=C1C(=O)O)OC=C2 |
InChI: | InChI=1S/C9H9NO3/c1-2-10-6-3-4-13-8(6)5-7(10)9(11)12/h3-5H,2H2,1H3,(H,11,12) |
InChI Key: | WRBYXSDFHASHHE-UHFFFAOYSA-N |
Melting Point: | 128 - 130°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Grey to Dark Grey Solid |
Storage: | -20°C, Inert atmosphere |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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