2-Ethyl-1,3-cyclopentanedione - CAS 823-36-9

Catalog:	BB036794
Product Name:	2-Ethyl-1,3-cyclopentanedione
CAS:	823-36-9
Synonyms:	2-ethylcyclopentane-1,3-dione; 2-ethylcyclopentane-1,3-dione

Technical Data

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Computed Properties

IUPAC Name:	2-ethylcyclopentane-1,3-dione
Description:	2-Ethyl-1,3-cyclopentanedione (CAS# 823-36-9) is used in the synthesis of indazole derivatives as potent hepcidin production inhibitors for the treatment of anemia of chronic diseases (ACD).
Molecular Weight:	126.15
Molecular Formula:	C7H10O2
Canonical SMILES:	CCC1C(=O)CCC1=O
InChI:	InChI=1S/C7H10O2/c1-2-5-6(8)3-4-7(5)9/h5H,2-4H2,1H3
InChI Key:	YDFBIBUYOUFJMR-UHFFFAOYSA-N
Boiling Point:	232.9 °C at 760 mmHg
Density:	1.057 g/cm³
LogP:	0.94460

Publication Number	Title	Priority Date
CN-112522329-B	Preparation method of optically pure 2, 2-disubstituted-1, 3-cyclopentanediol	20190918
WO-2021049335-A1	Dental polymerizable composition	20190910
CN-108164404-A	A kind of preparation method of Levonorgestrel intermediate	20171231
TW-201825477-A	Substituted 6-(1H-pyrazol-1-yl)pyrimidine-4-amine derivative and use thereof	20161014
TW-201708341-A	Heat-resistant stable material and heat-resistant composition wherein the heat-resistant stable material comprises antioxidant agent, alkaline co-stabilizer, and stabilizer	20150827

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Related Functional Groups

Carbonyl Compounds

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Sulfophenyl nonanoate sodium salt
[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
[87-88-7]
Chloranilic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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GHS Hazard Statement:	H320 (100%): Causes eye irritation [Warning Serious eye damage/eye irritation]; H402 (100%): Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P264+P265, P273, P305+P351+P338, P337+P317, and P501
Signal Word:	Warning

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.068079557
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	126.068079557
Rotatable Bond Count:	1
Topological Polar Surface Area:	34.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6