Methyl 5,6,7,8-Tetrahydroquinoline-8-carboxylate - CAS 53400-58-1
Catalog: |
BB028200 |
Product Name: |
Methyl 5,6,7,8-Tetrahydroquinoline-8-carboxylate |
CAS: |
53400-58-1 |
Synonyms: |
5,6,7,8-tetrahydroquinoline-8-carboxylic acid methyl ester; methyl 5,6,7,8-tetrahydroquinoline-8-carboxylate |
IUPAC Name: | methyl 5,6,7,8-tetrahydroquinoline-8-carboxylate |
Description: | Methyl 5,6,7,8-Tetrahydroquinoline-8-carboxylate (CAS# 53400-58-1 ) is a useful research chemical. |
Molecular Weight: | 191.23 |
Molecular Formula: | C11H13NO2 |
Canonical SMILES: | COC(=O)C1CCCC2=C1N=CC=C2 |
InChI: | InChI=1S/C11H13NO2/c1-14-11(13)9-6-2-4-8-5-3-7-12-10(8)9/h3,5,7,9H,2,4,6H2,1H3 |
InChI Key: | NSDLEELVPNRYRH-UHFFFAOYSA-N |
LogP: | 1.67450 |
Publication Number | Title | Priority Date |
CA-2456614-A1 | Synthesis of enantiomerically pure amino-substituted fused bicyclic rings | 20010912 |
CN-100412062-C | Synthesis of enantiomerically pure amino-substituted fused bicyclic rings | 20010912 |
CN-101353324-A | Synthesis of enantiomerically pure amino-substituted fused bicyclic rings | 20010912 |
CN-1272322-C | Synthesis of enantiomerically pure amino-substituted fused bicyclic rings | 20010912 |
CN-1608052-A | Synthesis of enantiomerically pure amino-substituted fused bicyclic rings | 20010912 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.094628657 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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