3,6-Dihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid
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3,6-Dihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid
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CAS No:
4440-39-5
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Formula:
C8H6O5
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Chemical Name:
3,6-Dihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid
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Synonyms:
1,3,6-Cycloheptatriene-1-carboxylic acid,3,6-dihydroxy-5-oxo-;Stipitatic acid;3,6-Dihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid
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CAS No:
Description
ChEBI: A derivative of cyclohepta-1,3,5-triene having a carboxy group at position 1, an oxo group at position 5 and hydroxy groups at positions 3 and 6.
Stipitatic acid is a derivative of cyclohepta-1,3,5-triene having a carboxy group at position 1, an oxo group at position 5 and hydroxy groups at positions 3 and 6. It is a conjugate acid of a stipitatate(2-) and a stipitatate(1-). It derives from a hydride of a cyclohepta-1,3,5-triene.
Computed Properties
Molecular Weight:182.13
XLogP3:-0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:182.02152329
Monoisotopic Mass:182.02152329
Topological Polar Surface Area:94.8
Heavy Atom Count:13
Complexity:359
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3,6-Dihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid
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