Ethyl 2-Methyl-3-oxo-3-phenylpropanoate - CAS 10488-87-6

Catalog:	BB001505
Product Name:	Ethyl 2-Methyl-3-oxo-3-phenylpropanoate
CAS:	10488-87-6
Synonyms:	2-methyl-3-oxo-3-phenylpropanoic acid ethyl ester; ethyl 2-methyl-3-oxo-3-phenylpropanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-methyl-3-oxo-3-phenylpropanoate
Description:	Ethyl 2-Methyl-3-oxo-3-phenylpropanoate (CAS# 10488-87-6) is a useful research chemical.
Molecular Weight:	206.24
Molecular Formula:	C12H14O3
Canonical SMILES:	CCOC(=O)C(C)C(=O)C1=CC=CC=C1
InChI:	InChI=1S/C12H14O3/c1-3-15-12(14)9(2)11(13)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChI Key:	RAWGHPXIJSCHFZ-UHFFFAOYSA-N
Boiling Point:	279.2 °C at 760 mmHg
Density:	1.08 g/cm³
MDL:	MFCD00026882
LogP:	2.06850

Publication Number	Title	Priority Date
US-2019367457-A1	Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (acmsd) inhibitors	20161230
WO-2018125983-A1	Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (acmsd) inhibitors	20161230
US-2021094916-A1	Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (acmsd) inhibitors	20161230
AU-2016346557-A1	Pyrimidine derivative	20151029
CA-3002632-A1	Pyrimidine derivative	20151029

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Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.094294304
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.094294304
Rotatable Bond Count:	5
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6