Ethyl 1-Acetylcyclopropanecarboxylate - CAS 32933-03-2

Catalog:	BB021486
Product Name:	Ethyl 1-Acetylcyclopropanecarboxylate
CAS:	32933-03-2
Synonyms:	1-acetyl-1-cyclopropanecarboxylic acid ethyl ester; ethyl 1-acetylcyclopropane-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 1-acetylcyclopropane-1-carboxylate
Description:	Ethyl 1-Acetylcyclopropanecarboxylate (CAS# 32933-03-2) is a useful research chemical.
Molecular Weight:	156.18
Molecular Formula:	C8H12O3
Canonical SMILES:	CCOC(=O)C1(CC1)C(=O)C
InChI:	InChI=1S/C8H12O3/c1-3-11-7(10)8(4-5-8)6(2)9/h3-5H2,1-2H3
InChI Key:	DISZFIFAESWGBI-UHFFFAOYSA-N
Boiling Point:	204.3 °C at 760 mmHg
Density:	1.139 g/cm³
MDL:	MFCD00480999
LogP:	0.91870

Publication Number	Title	Priority Date
US-2021298295-A1	Compounds and compositions for nematode treatment	20200221
WO-2021130492-A1	Carboxy derivatives with antiinflammatory properties	20191223
WO-2019074810-A1	INDAZOLYL-SPIRO [2,3] HEXANE-CARBONITRILE DERIVATIVES AS INHIBITORS OF LRRK2, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF	20171011
EP-3694331-A1	Indazolyl-spiro[2.3]hexane-carbonitrile derivatives as lrrk2 inhibitors, pharmaceutical compositions, and uses thereof	20171011
US-2021188818-A1	Indazolyl-spiro[2.3]hexane-carbonitrile derivatives as lrrk2 inhibitors, pharmaceutical compositions, and uses thereof	20171011

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.078644241
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.078644241
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7