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Hematein
[CAS# 475-25-2]

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Identification
Name Hematein
Synonyms Kbiogr_001996; Spectrum5_000376; Specplus_000484
Molecular Structure CAS#: 475-25-2, Hematein
Molecular Formula C16H12O6
Molecular Weight 300.27
CAS Registry Number 475-25-2
EINECS 207-492-8
SMILES C1=CC(=C(O)C4=C1C3=C2C(=CC(=O)C(=C2)O)CC3(O)CO4)O
InChI 1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,17,19-21H,5-6H2
InChIKey HLUCICHZHWJHLL-UHFFFAOYSA-N
Properties
Density 1.8±0.1g/cm3 (Cal.)
Boiling point 753.1±60.0°C at 760 mmHg (Cal.)
Flash point 289.0±26.4°C (Cal.)
Safety Data
SDS Available
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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