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103796-22-1

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103796-22-1 Structure

103796-22-1 Structure
IdentificationBack Directory
[Name]

Homocysteine, N-benzoyl-
[CAS]

103796-22-1
[Synonyms]

N-Benzoylhomocysteine
Homocysteine, N-benzoyl-
N-Benzoyl DL-homocysteine
2-Benzamido-4-mercaptobutanoic acid
[Molecular Formula]

C11H13NO3S
[MOL File]

103796-22-1.mol
[Molecular Weight]

239.29
Chemical PropertiesBack Directory
[Boiling point ]

511.3±45.0 °C(Predicted)
[density ]

1.270±0.06 g/cm3(Predicted)
[pka]

3.66±0.10(Predicted)
[InChI]

InChI=1S/C11H13NO3S/c13-10(8-4-2-1-3-5-8)12-9(6-7-16)11(14)15/h1-5,9,16H,6-7H2,(H,12,13)(H,14,15)/t9-/m0/s1
[InChIKey]

ZQQSNOCMNFNYHN-VIFPVBQESA-N
[SMILES]

C(O)(=O)[C@H](CCS)NC(=O)C1=CC=CC=C1
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