1-(4-Formylphenyl)-4-piperidinecarboxylic Acid - CAS 727396-60-3
Catalog: |
BB072539 |
Product Name: |
1-(4-Formylphenyl)-4-piperidinecarboxylic Acid |
CAS: |
727396-60-3 |
Synonyms: |
1-(4-Formylphenyl)piperidine-4-carboxylic acid; 1-(4-Formylphenyl)-4-piperidinecarboxylic acid; 1-(4-Formylphenyl)piperidine-4-carboxylicacid |
IUPAC Name: | 1-(4-formylphenyl)piperidine-4-carboxylic acid |
Description: | 1-(4-formylphenyl)-4-piperidinecarboxylic acid (cas# 727396-60-3) is a useful research chemical. |
Molecular Weight: | 233.26 |
Molecular Formula: | C13H15NO3 |
Canonical SMILES: | C1CN(CCC1C(=O)O)C2=CC=C(C=C2)C=O |
InChI: | InChI=1S/C13H15NO3/c15-9-10-1-3-12(4-2-10)14-7-5-11(6-8-14)13(16)17/h1-4,9,11H,5-8H2,(H,16,17) |
InChI Key: | CXXCXICUGGOJPU-UHFFFAOYSA-N |
Melting Point: | > 150 °C (dec.) |
Solubility: | DMSO (Slightly, Sonicated), Methanol (Slightly, Sonicated) |
Appearance: | Yellow to Very Dark Beige Solid |
Storage: | -20°C, Hygroscopic |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.10519334 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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