2-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid - CAS 1394041-72-5
Catalog: |
BB069280 |
Product Name: |
2-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid |
CAS: |
1394041-72-5 |
Synonyms: |
2-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid; 2-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxylicacid; 3-Piperidinecarboxylic acid, 2-(3-chlorophenyl)-1-methyl-6-oxo- |
IUPAC Name: | 2-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid |
Description: | 2-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid (cas# 1394041-72-5) is a useful research chemical. |
Molecular Weight: | 267.7 |
Molecular Formula: | C13H14NO3Cl |
Canonical SMILES: | CN1C(C(CCC1=O)C(=O)O)C2=CC(=CC=C2)Cl |
InChI: | InChI=1S/C13H14ClNO3/c1-15-11(16)6-5-10(13(17)18)12(15)8-3-2-4-9(14)7-8/h2-4,7,10,12H,5-6H2,1H3,(H,17,18) |
InChI Key: | WUWOUZOTTGCOPK-UHFFFAOYSA-N |
Melting Point: | 181 - 184°C |
Solubility: | Chloroform (Slightly, Heated) |
Appearance: | White to Off-White Solid |
Storage: | -20°C Freezer, Under inert atmosphere |
Complexity: | 347 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.066221 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.066221 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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