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3-(5-Oxo-1-phenyl-2-thioxo-4-imidazolidinyl)propanoic acid
[CAS# 7390-22-9]

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Identification
Name 3-(5-Oxo-1-phenyl-2-thioxo-4-imidazolidinyl)propanoic acid
Synonyms 3-(5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl)propanoic acid; 3-(5-Oxo-1-phenyl-2-thioxo-4-imidazolidinyl)propanoic acid #; 3-Phenyl-5-β-carboxyethyl-2-thioguidantoin
Molecular Structure CAS#: 7390-22-9, 3-(5-Oxo-1-phenyl-2-thioxo-4-imidazolidinyl)propanoic acid
Molecular Formula C12H12N2O3S
Molecular Weight 264.30
CAS Registry Number 7390-22-9
SMILES S=C2N(c1ccccc1)C(=O)C(N2)CCC(=O)O
InChI 1S/C12H12N2O3S/c15-10(16)7-6-9-11(17)14(12(18)13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,15,16)
InChIKey ULKNJYDXLYMGFB-UHFFFAOYSA-N
Properties
Density 1.455g/cm3 (Cal.)
Melting point 175°C (Expl.)
Boiling point 442.98°C at 760 mmHg (Cal.)
Flash point 221.707°C (Cal.)
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