Ethyl 3-(2-Nitrophenyl)propanoate - CAS 66757-87-7
Catalog: |
BB033096 |
Product Name: |
Ethyl 3-(2-Nitrophenyl)propanoate |
CAS: |
66757-87-7 |
Synonyms: |
3-(2-nitrophenyl)propanoic acid ethyl ester; ethyl 3-(2-nitrophenyl)propanoate |
IUPAC Name: | ethyl 3-(2-nitrophenyl)propanoate |
Description: | Ethyl 3-(2-Nitrophenyl)propanoate (CAS# 66757-87-7) is a useful research chemical. |
Molecular Weight: | 223.23 |
Molecular Formula: | C11H13NO4 |
Canonical SMILES: | CCOC(=O)CCC1=CC=CC=C1[N+](=O)[O-] |
InChI: | InChI=1S/C11H13NO4/c1-2-16-11(13)8-7-9-5-3-4-6-10(9)12(14)15/h3-6H,2,7-8H2,1H3 |
InChI Key: | NXPDBIQALSQRCP-UHFFFAOYSA-N |
LogP: | 2.61370 |
Publication Number | Title | Priority Date |
AU-2009276082-A1 | Compound with serotoninergic activity, process for preparing it and pharmaceutical composition comprising it | 20080729 |
AU-2009276082-B2 | Compound with serotoninergic activity, process for preparing it and pharmaceutical composition comprising it | 20080729 |
CA-2728096-A1 | Substituted 2h-pyrrolo[3,4-c]quinoline compound with serotoninergic activity, processes to prepare and pharmaceutical compositions comprising the compound | 20080729 |
CA-2728096-C | Substituted 2h-pyrrolo[3,4-c]quinoline compound with serotoninergic activity, processes to prepare and pharmaceutical compositions comprising the compound | 20080729 |
EA-019300-B1 | COMPOUNDS WITH SEROTONINERGIC ACTIVITY, METHOD OF THEIR PRODUCTION AND CONTAINING THEIR PHARMACEUTICAL COMPOSITIONS | 20080729 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.0844579 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.0844579 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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