3,3-Dimethyloxirane-2-carboxylic Acid - CAS 34886-30-1

Catalog:	BB022345
Product Name:	3,3-Dimethyloxirane-2-carboxylic Acid
CAS:	34886-30-1
Synonyms:	3,3-dimethyl-2-oxiranecarboxylic acid; 3,3-dimethyloxirane-2-carboxylic acid

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Computed Properties

IUPAC Name:	3,3-dimethyloxirane-2-carboxylic acid
Description:	3,3-Dimethyloxirane-2-carboxylic Acid (CAS# 34886-30-1 ) is a useful research chemical.
Molecular Weight:	116.12
Molecular Formula:	C5H8O3
Canonical SMILES:	CC1(C(O1)C(=O)O)C
InChI:	InChI=1S/C5H8O3/c1-5(2)3(8-5)4(6)7/h3H,1-2H3,(H,6,7)
InChI Key:	XAFLWKZCTIXPPU-UHFFFAOYSA-N
Boiling Point:	206.1 °C at 760 mmHg
Density:	1.223 g/cm³
LogP:	0.24840

Publication Number	Title	Priority Date
CN-111410605-A	Preparation method of Î² -hydroxy- Î² -calcium methylbutyrate	20200407
US-2021289794-A1	Compositions and related methods for agriculture	20180725
KR-101557702-B1	Method for the preparation of Mitiglinide Calcium Dihydrate	20131008
EP-2780177-A1	Method for producing polydienes and polydiene copolymers with reduced cold flow	20111118
US-2014296445-A1	Method For Producing Polydienes And Polydiene Copolymers With Reduced Cold Flow	20111118

PMID	Publication Date	Title	Journal
20649993	20100722	Mobile genetic element proliferation and gene inactivation impact over the genome structure and metabolic capabilities of Sodalis glossinidius, the secondary endosymbiont of tsetse flies	BMC genomics

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Complexity:	128
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	116.047344113
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1