Benzyl 3-Oxocyclobutanecarboxylate - CAS 198995-91-4

Catalog:	BB015370
Product Name:	Benzyl 3-Oxocyclobutanecarboxylate
CAS:	198995-91-4
Synonyms:	3-oxo-1-cyclobutanecarboxylic acid (phenylmethyl) ester; benzyl 3-oxocyclobutane-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	benzyl 3-oxocyclobutane-1-carboxylate
Description:	Benzyl 3-Oxocyclobutanecarboxylate (CAS# 198995-91-4) is a useful research chemical.
Molecular Weight:	204.22
Molecular Formula:	C12H12O3
Canonical SMILES:	C1C(CC1=O)C(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C12H12O3/c13-11-6-10(7-11)12(14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChI Key:	OPGPYIKNRCXNQY-UHFFFAOYSA-N
MDL:	MFCD11848894
LogP:	1.70890

Publication Number	Title	Priority Date
WO-2021203014-A1	Pyrano[4,3-b]l ndole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd)	20200403
WO-2021180774-A1	Modulators of the integrated stress response pathway	20200311
US-2020347043-A1	Modulators of the integrated stress pathway	20190430
WO-2020223538-A1	Substituted cycloalkyls as modulators of the integrated stress pathway	20190430
TW-202106679-A	Modulators of the integrated stress pathway	20190430

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]
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[959574-98-2]
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[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
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[832741-29-4]
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[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

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Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.078644241
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.078644241
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1