2749963-99-1

Name Benzo[b]thiophene-4-carboxylic acid, 2-amino-3-cyano-4,5,6,7-tetrahydro-4-methyl-, (4S)-
CAS 2749963-99-1
Molecular Formula C11H12N2O2S
Molecular Weight 236.29
MOL File 2749963-99-1.mol
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Chemical Properties

Boiling point  505.1±50.0 °C(Predicted)
density  1.41±0.1 g/cm3(Predicted)
pka 3.91±0.20(Predicted)
InChI InChI=1S/C11H12N2O2S/c1-11(10(14)15)4-2-3-7-8(11)6(5-12)9(13)16-7/h2-4,13H2,1H3,(H,14,15)/t11-/m0/s1
InChIKey IITRDERXWQUMAG-NSHDSACASA-N
SMILES C12CCC[C@](C)(C(O)=O)C=1C(C#N)=C(N)S2

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