Isodehydroacetic acid
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Isodehydroacetic acid
structure -
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CAS No:
480-65-9
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Formula:
C8H8O4
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Chemical Name:
Isodehydroacetic acid
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Synonyms:
2H-Pyran-5-carboxylic acid,4,6-dimethyl-2-oxo-;Glutaconic acid,4-(1-hydroxyethylidene)-3-methyl-,δ-lactone;Coumalic acid,4,6-dimethyl-;4,6-Dimethyl-2-oxo-2H-pyran-5-carboxylic acid;Acetic acid,isodehydro-;Isodehydracetic acid;Isodehydroacetic acid;2-Pentenedioic acid,4-(1-hydroxyethylidene)-3-methyl-,δ-lactone;4,6-Dimethylcoumalic acid;NSC 34551;NSC 408066;2,4-Dimethyl-6-oxo-6H-pyran-3-carboxylic acid;2,4-Dimethyl-6-oxopyran-3-carboxylic acid;1134020-00-0
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CAS No:
Isodehydroacetic acid Basic Attributes
168.15
168.15
207-554-4
408066|34551
DTXSID80197386
2932209090
Characteristics
67.51000
0.95480
1.326g/cm3
155 °C
219.79°C (rough estimate)
125.8ºC
1.4530 (estimate)
Computed Properties
Molecular Weight:168.15
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:168.04225873
Monoisotopic Mass:168.04225873
Topological Polar Surface Area:63.6
Heavy Atom Count:12
Complexity:309
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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