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Metiazinic Acid
[CAS# 13993-65-2]

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Identification
Name Metiazinic Acid
Synonyms 2-(10-Methyl-2-Phenothiazinyl)Acetic Acid; 2-(10-Methylphenothiazin-2-Yl)Ethanoic Acid; (10-Methyl-10H-Phenothiazin-2-Yl)Acetic Acid
Molecular Structure CAS#: 13993-65-2, Metiazinic Acid
Molecular Formula C15H13NO2S
Molecular Weight 271.33
CAS Registry Number 13993-65-2
EINECS 237-795-0
SMILES C1=C(CC(O)=O)C=CC2=C1N(C3=C(S2)C=CC=C3)C
InChI 1S/C15H13NO2S/c1-16-11-4-2-3-5-13(11)19-14-7-6-10(8-12(14)16)9-15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKey LMINNBXUMGNKMM-UHFFFAOYSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Boiling point 482.6±44.0°C at 760 mmHg (Cal.)
Flash point 245.7±28.4°C (Cal.)
References
(1) Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493
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