2,2-Dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylic acid
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2,2-Dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylic acid
structure -
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CAS No:
80866-93-9
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Formula:
C8H10O4
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Chemical Name:
2,2-Dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylic acid
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Synonyms:
2H-Pyran-6-carboxylic acid,3,4-dihydro-2,2-dimethyl-4-oxo-;3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid;2,2-Dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylic acid;6,6-Dimethyl-4-oxo-5,6-dihydro-4H-pyran-2-carboxylic acid
- Categories:
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CAS No:
2,2-Dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylic acid Basic Attributes
170.16
170.16
279-596-1
DTXSID20230761
2932999099
Characteristics
63.60000
0.72290
1.1456 (rough estimate)
170 °C (dec.)(lit.)
259ºC at 760 mmHg
102.4ºC
1.4425 (estimate)
Safety Information
3
22
36
UP6990000
Xn
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:170.16
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:170.05790880
Monoisotopic Mass:170.05790880
Topological Polar Surface Area:63.6
Heavy Atom Count:12
Complexity:262
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,2-Dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylic acid
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