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

Technical Data

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Computed Properties

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

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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