2-Hydroxy-6-oxo-2,4-heptadienoic acid
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2-Hydroxy-6-oxo-2,4-heptadienoic acid
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CAS No:
7244-95-3
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Formula:
C7H8O4
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Chemical Name:
2-Hydroxy-6-oxo-2,4-heptadienoic acid
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Synonyms:
2,4-Heptadienoic acid,2-hydroxy-6-oxo-;2-Hydroxy-6-oxo-2,4-heptadienoic acid;2-Hydroxy-6-oxo-2,4-heptadienoate
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CAS No:
Description
2-hydroxy-6-oxo-2,4-heptadienoic acid is an alpha,beta-unsaturated monocarboxylic acid that is 2,4-heptadienoic acid substituted by hydroxy and oxo groups at positions 2 and 6 respectively. It has a role as a bacterial xenobiotic metabolite. It is an alpha,beta-unsaturated monocarboxylic acid, a hydroxy monocarboxylic acid, an oxo monocarboxylic acid and an enone. It is a conjugate acid of a 2-hydroxy-6-oxo-2,4-heptadienoate.
Computed Properties
Molecular Weight:156.14
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:156.04225873
Monoisotopic Mass:156.04225873
Topological Polar Surface Area:74.6
Heavy Atom Count:11
Complexity:225
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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