Methyl 3-Oxocyclopentanecarboxylate - CAS 32811-75-9

Name: Methyl 3-Oxocyclopentanecarboxylate
Brand: BOC Sciences
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Catalog:	BB021422
Product Name:	Methyl 3-Oxocyclopentanecarboxylate
CAS:	32811-75-9
Synonyms:	3-oxo-1-cyclopentanecarboxylic acid methyl ester; methyl 3-oxocyclopentane-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 3-oxocyclopentane-1-carboxylate
Description:	Methyl 3-Oxocyclopentanecarboxylate (CAS# 32811-75-9) is a useful research chemical.
Molecular Weight:	142.15
Molecular Formula:	C7H10O3
Canonical SMILES:	COC(=O)C1CCC(=O)C1
InChI:	InChI=1S/C7H10O3/c1-10-7(9)5-2-3-6(8)4-5/h5H,2-4H2,1H3
InChI Key:	KTGCFXSELRVRFH-UHFFFAOYSA-N
Boiling Point:	209.7 °C at 760 mmHg
Density:	1.157 g/cm³
Appearance:	Liquid
MDL:	MFCD09832106
LogP:	0.52860

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P305+P351+P338, P310, P330, P391, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113121527-A	Tricyclic compound and use thereof	20191231
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WO-2021032591-A1	Macrocyclic sulfonylurea derivatives useful as nlrp3 inhibitors	20190816
WO-2020070088-A1	Flavone derivatives for the treatment and prophylaxis of hepatitis b virus disease	20181003

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.062994177
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	142.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1