4-Ethoxy-5-methoxy-1h-indole-2-carboxylic acid - CAS 887360-80-7
Catalog: |
BB065959 |
Product Name: |
4-Ethoxy-5-methoxy-1h-indole-2-carboxylic acid |
CAS: |
887360-80-7 |
Synonyms: |
4-ethoxy-5-methoxy-1H-indole-2-carboxylic Acid;4-ethoxy-5-methoxy-1H-indole-2-carboxylicAcid |
IUPAC Name: | 4-ethoxy-5-methoxy-1H-indole-2-carboxylic acid |
Description: | 4-Ethoxy-5-methoxy-1h-indole-2-carboxylic acid |
Molecular Weight: | 235.24 |
Molecular Formula: | C12H13NO4 |
Canonical SMILES: | CCOC1=C(C=CC2=C1C=C(N2)C(=O)O)OC |
InChI: | InChI=1S/C12H13NO4/c1-3-17-11-7-6-9(12(14)15)13-8(7)4-5-10(11)16-2/h4-6,13H,3H2,1-2H3,(H,14,15) |
InChI Key: | FWASDTPLNNWWDM-UHFFFAOYSA-N |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.0844579 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.0844579 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 71.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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