6-Chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid
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6-Chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid
structure -
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CAS No:
5006-45-1
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Formula:
C10H5ClO4
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Chemical Name:
6-Chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid
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Synonyms:
4H-1-Benzopyran-2-carboxylic acid,6-chloro-4-oxo-;6-Chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid;6-Chlorochromone-2-carboxylic acid
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CAS No:
6-Chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid Basic Attributes
224.59700
224.60
DTXSID00198198
2918300090
Characteristics
67.51000
2.14460
1.612g/cm3
261-262 °C @ Solvent: Ethanol
384.5ºC at 760 mmHg
186.4ºC
1.649
Safety Information
22
Xn
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H302 (33.33%): 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 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:224.59
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:223.9876363
Monoisotopic Mass:223.9876363
Topological Polar Surface Area:63.6
Heavy Atom Count:15
Complexity:336
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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6-Chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid
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