2-(3-nitro-1,2,4-triazol-1-yl)acetic acid
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2-(3-nitro-1,2,4-triazol-1-yl)acetic acid
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CAS No:
116419-36-4
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Formula:
C4H4N4O4
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Chemical Name:
2-(3-nitro-1,2,4-triazol-1-yl)acetic acid
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Synonyms:
1H-1,2,4-Triazole-1-acetic acid,3-nitro; 3-nitro-1,2,4-triazolylacetic acid;
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CAS No:
2-(3-nitro-1,2,4-triazol-1-yl)acetic acid Basic Attributes
172.09900
172.02325462
DTXSID50361330
2933990090
Safety Information
Xi
|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:172.10
XLogP3:-0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:172.02325462
Monoisotopic Mass:172.02325462
Topological Polar Surface Area:114
Heavy Atom Count:12
Complexity:202
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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