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ChemicalBook--->CAS DataBase List--->41248-13-9

41248-13-9

41248-13-9 Structure

41248-13-9 Structure
IdentificationBack Directory
[Name]

1-Hydroxy-cyclobutanecarboxylic acid
[CAS]

41248-13-9
[Synonyms]

1-Hydroxy-cyclobutanecarboxylic acid
1-hydroxycyclobutane-1-carboxylicacid
Cyclobutanecarboxylic acid, 1-hydroxy-
[Molecular Formula]

C5H8O3
[MDL Number]

MFCD08861856
[MOL File]

41248-13-9.mol
[Molecular Weight]

116.12
Questions And AnswerBack Directory
[Physical Form]

Solid
Chemical PropertiesBack Directory
[Melting point ]

68 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
[Boiling point ]

120 °C
[density ]

1.476±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

4.05±0.20(Predicted)
[InChI]

InChI=1S/C5H8O3/c6-4(7)5(8)2-1-3-5/h8H,1-3H2,(H,6,7)
[InChIKey]

XCBNHDSVRQZWLH-UHFFFAOYSA-N
[SMILES]

C1(O)(C(O)=O)CCC1
Safety DataBack Directory
[Symbol(GHS) ]


GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H318-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

1-Hydroxycyclobutanecarboxylic Acid is used in preparation of piperidines or piperidones substituted with urea and heteroaryl as FPR2 modulators.
[structure and hydrogen bonding]

1-Hydroxy-cyclobutanecarboxylic acid is a potential chelating molecule bearing the conformational rigid cyclobutane group.
1-Hydroxy-cyclobutanecarboxylic acid
[References]

[1] Richard Betz, Peter Klüfers. “1-Hydroxycyclobutane-1-carboxylic acid.” Acta crystallographica. Section E, Structure reports online 63 10 (2007): o4032.
Spectrum DetailBack Directory
[Spectrum Detail]

1-Hydroxy-cyclobutanecarboxylic acid(41248-13-9)1HNMR
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