6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
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6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
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CAS No:
99199-60-7
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Formula:
C10H9FO3
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Chemical Name:
6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
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Synonyms:
2H-1-Benzopyran-2-carboxylic acid,6-fluoro-3,4-dihydro-;6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid;6-Fluorochroman-2-carboxylic acid;129050-20-0
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CAS No:
Characteristics
1.364±0.06 g/cm3
129.2-130.3 °C @ Solvent: Toluene
358.0±42.0 °C(Predicted)
3.05±0.20
Safety Information
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:196.17
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:196.05357231
Monoisotopic Mass:196.05357231
Topological Polar Surface Area:46.5
Heavy Atom Count:14
Complexity:231
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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