3-Ethoxy-2-cyclopentenone - CAS 22627-70-9

Catalog:	BB017691
Product Name:	3-Ethoxy-2-cyclopentenone
CAS:	22627-70-9
Synonyms:	3-ethoxycyclopent-2-en-1-one

Technical Data

Patents

Computed Properties

IUPAC Name:	3-ethoxycyclopent-2-en-1-one
Description:	3-Ethoxy-2-cyclopentenone (CAS# 22627-70-9) is used in [3+2] photocycloadditions.
Molecular Weight:	126.15
Molecular Formula:	C7H10O2
Canonical SMILES:	CCOC1=CC(=O)CC1
InChI:	InChI=1S/C7H10O2/c1-2-9-7-4-3-6(8)5-7/h5H,2-4H2,1H3
InChI Key:	SUQNVCCJLBQVEI-UHFFFAOYSA-N
Boiling Point:	229.7 ℃ at 760 mmHg
Density:	1.03 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00042963
LogP:	1.26970

Publication Number	Title	Priority Date
EP-3786161-A1	Cdk4/6 inhibitor and pharmaceutically acceptable salt and polymorph thereof and use thereof	20180424
CA-3061209-A1	Compound used as autophagy regulator, and preparation method therefor and uses thereof	20170522
CN-111148740-A	Compounds useful as autophagy modulators and methods of making and using the same	20170522
EP-3632903-A1	Compound used as autophagy regulator, and preparation method therefor and uses thereof	20170522
KR-20200008573-A	Compounds used as autophagy regulators, and methods for their preparation and uses thereof	20170522

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Complexity:	147
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:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6