2,1-Benzisoxazole-3-carboxylic acid, 4,5,6,7-tetrahydro-
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2,1-Benzisoxazole-3-carboxylic acid, 4,5,6,7-tetrahydro-
structure -
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CAS No:
261350-47-4
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Formula:
C8H9NO3
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Chemical Name:
2,1-Benzisoxazole-3-carboxylic acid, 4,5,6,7-tetrahydro-
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Synonyms:
2,1-Benzisoxazole-3-carboxylic acid, 4,5,6,7-tetrahydro-;2,1-Benzisoxazole-3-carboxylicacid,4,5,6,7-tetrahydro-(9CI);4,5,6,7-tetrahydro-2,1-benzisoxazole-3-carboxylic acid(SALTDATA: FREE);4,5,6,7-tetrahydrobenzo[c]isoxazole-3-carboxylic acid
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CAS No:
2,1-Benzisoxazole-3-carboxylic acid, 4,5,6,7-tetrahydro- Basic Attributes
167.16196
167.05800
DTXSID40579088
2934999090
Characteristics
63.3
1.25160
1.339 g/cm3
128-130 °C(Solv: hexane (110-54-3); chloroform (67-66-3))
376.1ºC at 760 mmHg
181.3ºC
Safety Information
|Warning|H302 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:167.16
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:167.058243149
Monoisotopic Mass:167.058243149
Topological Polar Surface Area:63.3
Heavy Atom Count:12
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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