(2S)-4-Oxo-2-oxetanecarboxylic Acid Ethyl Ester - CAS 353302-29-1

Catalog:	BB058463
Product Name:	(2S)-4-Oxo-2-oxetanecarboxylic Acid Ethyl Ester
CAS:	353302-29-1
Synonyms:	(S)-Ethyl 4-Oxooxetane-2-carboxylate

Technical Data

IUPAC Name:	ethyl (2S)-4-oxooxetane-2-carboxylate
Description:	(2S)-4-Oxo-2-oxetanecarboxylic Acid Ethyl Ester is the S-isomer of 4-Oxo-2-oxetanecarboxylic Acid Ethyl Ester (O858475); the ethyl ester derivative of 4-Oxo-2-oxetanecarboxylic Acid (O858455) which is a building block in copolymers which are used as coating materials for medical devices.
Molecular Weight:	144.13
Molecular Formula:	C6H8O4
Canonical SMILES:	CCOC(=O)C1CC(=O)O1
InChI:	InChI=1S/C6H8O4/c1-2-9-6(8)4-3-5(7)10-4/h4H,2-3H2,1H3/t4-/m0/s1
InChI Key:	MDARXXGXFUIFGZ-BYPYZUCNSA-N
References:	Glauser, T., et al. U.S. Pat. Appl. Publ. US 20070005130 A1 20070104. Jan 4, 2007.

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	144.04225873
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	144.04225873
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1