1-(2,6-Dimethylphenyl)-1h-pyrrole-3-carbaldehyde - CAS 132688-31-4
Catalog: |
BB066916 |
Product Name: |
1-(2,6-Dimethylphenyl)-1h-pyrrole-3-carbaldehyde |
CAS: |
132688-31-4 |
Synonyms: |
1-(2,6-Dimethylphenyl)-1H-pyrrole-3-carboxaldehyde |
IUPAC Name: | 1-(2,6-dimethylphenyl)pyrrole-3-carbaldehyde |
Description: | 1-(2,6-Dimethylphenyl)-1h-pyrrole-3-carbaldehyde is used in the preparation of pyrrolyl-substituted hydroxamic acids as lipoxygenase inhibitors. |
Molecular Weight: | 199.25 |
Molecular Formula: | C13H13NO |
Canonical SMILES: | CC1=C(C(=CC=C1)C)N2C=CC(=C2)C=O |
InChI: | InChI=1S/C13H13NO/c1-10-4-3-5-11(2)13(10)14-7-6-12(8-14)9-15/h3-9H,1-2H3 |
InChI Key: | XGYWMIOYSRBPAT-UHFFFAOYSA-N |
References: | Wasley, J. W. F., et al. U.S. (1990), US 4960787 A 19901002. |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.099714038 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 22Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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