3-(1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
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3-(1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
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CAS No:
418805-51-3
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Formula:
C13H17N3O2
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Chemical Name:
3-(1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
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CAS No:
3-(1,2,4-triazol-1-yl)adamantane-1-carboxylic acid Basic Attributes
247.29300
247.132076794
DTXSID30386268
2933990090
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:247.29
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:247.132076794
Monoisotopic Mass:247.132076794
Topological Polar Surface Area:68
Heavy Atom Count:18
Complexity:384
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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