Ethyl 4-phenyl-2,4-dioxobutanoate - CAS 6296-54-4

Name: Ethyl 4-phenyl-2,4-dioxobutanoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031904
Product Name:	Ethyl 4-phenyl-2,4-dioxobutanoate
CAS:	6296-54-4
Synonyms:	ethyl 2,4-dioxo-4-phenylbutanoate

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Computed Properties

IUPAC Name:	ethyl 2,4-dioxo-4-phenylbutanoate
Description:	Ethyl 4-phenyl-2,4-dioxobutanoate (CAS# 6296-54-4) is a useful research chemical.
Molecular Weight:	220.22
Molecular Formula:	C12H12O4
Canonical SMILES:	CCOC(=O)C(=O)CC(=O)C1=CC=CC=C1
InChI:	InChI=1S/C12H12O4/c1-2-16-12(15)11(14)8-10(13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key:	UVJQQYMWMAISMQ-UHFFFAOYSA-N
Boiling Point:	348.5 °C at 760 mmHg
Density:	1.173 g/cm³
MDL:	MFCD01935977
LogP:	1.39160

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

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GHS Hazard Statement:	H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111440177-A	Novel substituted pyrazolo [1,5-a ] pyrimidine compound and preparation method and application thereof	20200525
WO-2021021933-A1	Isph inhibitors, and methods of making and using same	20190730
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CN-110156708-A	A kind of compound substitution heterocycle class and its preparation method and application containing acylhydrazone skeleton	20190521
WO-2019170050-A1	2-thiomethylpyrazolopyrimidinone compound, preparation method thereof, pharmaceutical composition and application thereof	20180306

Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.07355886
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	220.07355886
Rotatable Bond Count:	6
Topological Polar Surface Area:	60.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8