5-(1-Methylethyl)-4-isoxazolecarboxylic acid
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5-(1-Methylethyl)-4-isoxazolecarboxylic acid
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CAS No:
134541-05-2
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Formula:
C7H9NO3
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Chemical Name:
5-(1-Methylethyl)-4-isoxazolecarboxylic acid
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Synonyms:
4-Isoxazolecarboxylic acid,5-(1-methylethyl)-;5-(1-Methylethyl)-4-isoxazolecarboxylic acid;5-Isopropylisoxazole-4-carboxylic acid
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CAS No:
5-(1-Methylethyl)-4-isoxazolecarboxylic acid Basic Attributes
155.15100
155.15
DTXSID10564027
2934999090
Characteristics
63.33000
1.49620
1.212g/cm3
80-81 °C @ Solvent: Ligroine
291.958ºC
130.372ºC
1.502
0.001mmHg at 25°C
Safety Information
3
|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:155.15
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:155.058243149
Monoisotopic Mass:155.058243149
Topological Polar Surface Area:63.3
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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