5-Phenyl-1H-1,2,3-triazole-4-carboxylicacid
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5-Phenyl-1H-1,2,3-triazole-4-carboxylicacid
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CAS No:
830-78-4
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Formula:
C9H7N3O2
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Chemical Name:
5-Phenyl-1H-1,2,3-triazole-4-carboxylicacid
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Synonyms:
5-Phenyl-1H-1,2,3-triazole-4-carboxylic acid;1H-1,2,3-Triazole-5-carboxylic acid, 4-phenyl-
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CAS No:
5-Phenyl-1H-1,2,3-triazole-4-carboxylicacid Basic Attributes
189.17
189.053826475
DTXSID60390257
2933990090
Characteristics
78.87000
1.16990
1.432±0.06 g/cm3
200-202 °C (decomp)
438.1±25.0 °C(Predicted)
3.19±0.50
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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:189.17
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:189.053826475
Monoisotopic Mass:189.053826475
Topological Polar Surface Area:78.9
Heavy Atom Count:14
Complexity:216
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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