Methyl Oxetane-3-carboxylate - CAS 1638760-80-1

Catalog:	BB012049
Product Name:	Methyl Oxetane-3-carboxylate
CAS:	1638760-80-1
Synonyms:	3-oxetanecarboxylic acid methyl ester; methyl oxetane-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl oxetane-3-carboxylate
Description:	Methyl Oxetane-3-carboxylate (CAS# 1638760-80-1) is a useful research chemical.
Molecular Weight:	116.12
Molecular Formula:	C5H8O3
Canonical SMILES:	COC(=O)C1COC1
InChI:	InChI=1S/C5H8O3/c1-7-5(6)4-2-8-3-4/h4H,2-3H2,1H3
InChI Key:	KIKBCVAAHVENQY-UHFFFAOYSA-N
MDL:	MFCD22566365
LogP:	-0.19420

Publication Number	Title	Priority Date
CN-111825657-A	Dual-function chimeric heterocyclic compound for targeted degradation of androgen receptor and application thereof	20190418
WO-2020162612-A1	Pyridine compound substituted by heteroaryl	20190208
JP-2020128368-A	Medicine containing an azole-substituted pyridine compound as an active ingredient	20190208
TW-202045494-A	Pyridine compounds substituted by heteroaryl	20190208
TW-202016090-A	Pyridyl derivatives substituted with alkoxy groups	20180607

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Complexity:	95.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.047344113
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	116.047344113
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3