Methyl 3-(3-Nitrophenyl)-3-oxopropionate - CAS 83256-99-9

Catalog:	BB036994
Product Name:	Methyl 3-(3-Nitrophenyl)-3-oxopropionate
CAS:	83256-99-9
Synonyms:	3-(3-nitrophenyl)-3-oxopropanoic acid methyl ester; methyl 3-(3-nitrophenyl)-3-oxopropanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-(3-nitrophenyl)-3-oxopropanoate
Description:	Methyl 3-(3-Nitrophenyl)-3-oxopropionate (CAS# 83256-99-9 ) is a useful research chemical.
Molecular Weight:	223.18
Molecular Formula:	C10H9NO5
Canonical SMILES:	COC(=O)CC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
InChI:	InChI=1S/C10H9NO5/c1-16-10(13)6-9(12)7-3-2-4-8(5-7)11(14)15/h2-5H,6H2,1H3
InChI Key:	DEDHBEWHJGEANM-UHFFFAOYSA-N
Boiling Point:	298.9 °C at 760 mmHg
Density:	1.318 g/cm³
LogP:	1.86380

Publication Number	Title	Priority Date
WO-2020168143-A1	Substituted bicyclic compounds as farnesoid x receptor modulators	20190215
TW-202045498-A	Substituted bicyclic compounds as farnesoid x receptor modulators	20190215
US-2003087306-A1	Methods for identifying novel multimeric agents that modulate receptors	19980608
JP-H11116506-A	Method for producing disubstituted alkane compounds	19971013
US-4829076-A	Novel dihydropyridines having calcium antagonistic and antihypertensive activity	19860916

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[17746-05-3]
Undecanoyl chloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Complexity:	296
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.04807239
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.04807239
Rotatable Bond Count:	4
Topological Polar Surface Area:	89.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4