2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid - CAS 80709-80-4
Catalog: |
BB036541 |
Product Name: |
2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid |
CAS: |
80709-80-4 |
Synonyms: |
2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid; 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid |
IUPAC Name: | 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid |
Description: | 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid (CAS# 80709-80-4) is a useful intermediate. |
Molecular Weight: | 165.148 |
Molecular Formula: | C8H7NO3 |
Canonical SMILES: | CC1=CC2=C(O1)C=C(N2)C(=O)O |
InChI: | InChI=1S/C8H7NO3/c1-4-2-5-7(12-4)3-6(9-5)8(10)11/h2-3,9H,1H3,(H,10,11) |
InChI Key: | ILLLWINWDFYWES-UHFFFAOYSA-N |
LogP: | 1.76750 |
Publication Number | Title | Priority Date |
US-2015050371-A1 | Extract Formulations of Rhodamnia Cinerea And Uses Thereof | 20120309 |
WO-2013133685-A1 | Extract formulations of rhodamnia cinerea and uses thereof | 20120309 |
AU-2007269646-A1 | Fused heterocyclic inhibitors of D-amino acid oxidase | 20060630 |
CA-2659060-A1 | Fused heterocyclic inhibitors of d-amino acid oxidase | 20060630 |
JP-2009542683-A | Condensed heterocyclic inhibitors of D-amino acid oxidase | 20060630 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.042593085 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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