ChemicalBook--->CAS DataBase List--->552849-33-9

552849-33-9

552849-33-9 Structure

552849-33-9 Structure
IdentificationBack Directory
[Name]

cis-3-Hydroxycyclobutanecarboxylic acid
[CAS]

552849-33-9
[Synonyms]

N-Carbamimidoylisonicotinamide
3-hydroxy-1-cyclobutanecarboxylic acid
3-hydroxycyclobutane-1-carboxylic acid
cis-3-Hydroxycyclobutanecarboxylic acid
(1s,3s)-3-Hydroxycyclobutanecarboxylic acid
Cyclobutanecarboxylic acid, 3-hydroxy-, cis-
[Molecular Formula]

C5H8O3
[MDL Number]

MFCD12964956
[MOL File]

552849-33-9.mol
[Molecular Weight]

116.115
Chemical PropertiesBack Directory
[Boiling point ]

290.1±33.0 °C(Predicted)
[density ]

1.447±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

4.54±0.40(Predicted)
[InChI]

InChI=1S/C5H8O3/c6-4-1-3(2-4)5(7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4+
[InChIKey]

ZSHGVMYLGGANKU-ZXZARUISSA-N
[SMILES]

[C@@H]1(C(O)=O)C[C@H](O)C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H315
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[HS Code ]

2918199890
Hazard InformationBack Directory
[Uses]

Cis-3-Hydroxycyclobutanecarboxylic acid is a non-natural amino acid and a positron-emitting radiotracer. It is used in the preparation of PET imaging agents for the detection of human tumors. It has been shown to be a more sensitive marker than FDG, which is typically used in tumor imaging. The labeling of this compound can be done on a large scale by automated means, making it an ideal candidate for use in PET imaging studies with high stereoselectivity.
Spectrum DetailBack Directory
[Spectrum Detail]

cis-3-Hydroxycyclobutanecarboxylic acid(552849-33-9)1HNMR
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