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450394-89-5

450394-89-5 Structure

450394-89-5 Structure
IdentificationBack Directory
[Name]

3-(5,6-DIMETHYL-4-OXO-4H-THIENO[2,3-D]PYRIMIDIN-3-YL)-PROPIONIC ACID
[CAS]

450394-89-5
[Synonyms]

AKOS BBS-00002643
TIMTEC-BB SBB011965
3-(5,6-DIMETHYL-4-OXO-4H-THIENO[2,3-D]PYRIMIDIN-3-YL)-PROPIONIC ACID
3-{5,6-Dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}propanoic Acid
[Molecular Formula]

C11H12N2O3S
[MDL Number]

MFCD02960613
[MOL File]

450394-89-5.mol
[Molecular Weight]

252.29
Chemical PropertiesBack Directory
[Boiling point ]

511.7±60.0 °C(Predicted)
[density ]

1.45±0.1 g/cm3(Predicted)
[form ]

solid
[pka]

4.32±0.10(Predicted)
[InChI]

1S/C11H12N2O3S/c1-6-7(2)17-10-9(6)11(16)13(5-12-10)4-3-8(14)15/h5H,3-4H2,1-2H3,(H,14,15)
[InChIKey]

KQLWZQHFEVJYSV-UHFFFAOYSA-N
[SMILES]

O=C1C2=C(SC(C)=C2C)N=CN1CCC(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
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