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4,5,6-Trihydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid
[CAS# 99-23-0]

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CAS#: 99-23-0
Product: 4,5,6-Trihydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid
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Identification
Name 4,5,6-Trihydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid
Synonyms 1,3,6-Cycloheptatriene-1-carboxylic acid, 3,4,6-trihydroxy-5-oxo-; 3,4,6-Trihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid #; Puberulic Acid
Molecular Structure CAS#: 99-23-0, 4,5,6-Trihydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid
Molecular Formula C8H6O6
Molecular Weight 198.13
CAS Registry Number 99-23-0
SMILES O=C1/C=C(\C=C(\O)C(\O)=C1\O)C(=O)O
InChI 1S/C8H6O6/c9-4-1-3(8(13)14)2-5(10)7(12)6(4)11/h1-2H,(H,13,14)(H3,9,10,11,12)
InChIKey RRDGXYZZWSIADF-UHFFFAOYSA-N
Properties
Density 2.069g/cm3 (Cal.)
Boiling point 206.392°C at 760 mmHg (Cal.)
Flash point 92.914°C (Cal.)
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List of Reports Available for 4,5,6-Trihydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid
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