4-Ethoxy-1h-indole-2-carboxylic acid - CAS 29970-01-2
Catalog: |
BB063255 |
Product Name: |
4-Ethoxy-1h-indole-2-carboxylic acid |
CAS: |
29970-01-2 |
Synonyms: |
4-Ethoxy-1H-indole-2-carboxylic acid |
IUPAC Name: | 4-ethoxy-1H-indole-2-carboxylic acid |
Description: | 4-Ethoxy-1h-indole-2-carboxylic acid |
Molecular Weight: | 205.21 |
Molecular Formula: | C11H11NO3 |
Canonical SMILES: | CCOC1=CC=CC2=C1C=C(N2)C(=O)O |
InChI: | InChI=1S/C11H11NO3/c1-2-15-10-5-3-4-8-7(10)6-9(12-8)11(13)14/h3-6,12H,2H2,1H3,(H,13,14) |
InChI Key: | LJWIZTFZBBEWOJ-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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