Ethyl 2-Cyclobutylideneacetate - CAS 27741-65-7

Name: Ethyl 2-Cyclobutylideneacetate
Brand: BOC Sciences
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Catalog:	BB019660
Product Name:	Ethyl 2-Cyclobutylideneacetate
CAS:	27741-65-7
Synonyms:	2-cyclobutylideneacetic acid ethyl ester; ethyl 2-cyclobutylideneacetate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 2-cyclobutylideneacetate
Description:	Ethyl 2-Cyclobutylideneacetate (CAS# 27741-65-7 ) is a useful research chemical.
Molecular Weight:	140.18
Molecular Formula:	C8H12O2
Canonical SMILES:	CCOC(=O)C=C1CCC1
InChI:	InChI=1S/C8H12O2/c1-2-10-8(9)6-7-4-3-5-7/h6H,2-5H2,1H3
InChI Key:	FGCGWHVDPBOFJE-UHFFFAOYSA-N
Boiling Point:	191.2 °C at 760 mmHg
Density:	1.124 g/cm³
MDL:	MFCD11977311
LogP:	1.65980

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[17432-37-0]C11H14O
2,3,5,6-Tetramethylbenzaldehyde
[108397-75-7]C8H10N2O2
2,4,6-Trimethylpyrimidine-5-carboxylic Acid
[328270-02-6]C11H16N2OS
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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, 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
WO-2021124272-A1	Cycloalkyl-containing carboxylic acids and uses thereof	20191219
WO-2020161257-A1	3-amino-2-[2-(acylamino)pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one as csnk1 inhibitors	20190207
WO-2019148005-A1	Inhibitors of cbl-b and methods of use thereof	20180126
EP-3743063-A1	Inhibitors of cbl-b and methods of use thereof	20180126
CA-3061209-A1	Compound used as autophagy regulator, and preparation method therefor and uses thereof	20170522

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.083729621
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	140.083729621
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4