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Phenacein
[CAS# 94818-84-5]

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CAS#: 94818-84-5
Product: Phenacein
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Identification
Name Phenacein
Synonyms 6-Hydroxy-3-Keto-5H-Phenazine-1-Carboxylic Acid; 1-Phenazinecarboxylic Acid, 3,6-Dihydroxy-; 3,6-Dihydroxy-1-Phenazinecarboxylic Acid
Molecular Structure CAS#: 94818-84-5, Phenacein
Molecular Formula C13H8N2O4
Molecular Weight 256.22
CAS Registry Number 94818-84-5
SMILES C1=CC=C(O)C3=C1N=C2C(=CC(=O)C=C2C(O)=O)N3
InChI 1S/C13H8N2O4/c16-6-4-7(13(18)19)11-9(5-6)15-12-8(14-11)2-1-3-10(12)17/h1-5,15,17H,(H,18,19)
InChIKey GWSIQHUBLBTSBD-UHFFFAOYSA-N
Properties
Density 1.654g/cm3 (Cal.)
Boiling point 491.517°C at 760 mmHg (Cal.)
Flash point 251.06°C (Cal.)
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