2,2-Dimethyl-3-butynoic acid
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2,2-Dimethyl-3-butynoic acid
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CAS No:
56663-76-4
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Formula:
C6H8O2
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Chemical Name:
2,2-Dimethyl-3-butynoic acid
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Synonyms:
3-Butynoic acid,2,2-dimethyl-;2,2-Dimethyl-3-butynoic acid;2,2-Dimethylbut-3-ynoic acid
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CAS No:
Safety Information
Ⅱ
8
3265
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, 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:112.13
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:112.052429494
Monoisotopic Mass:112.052429494
Topological Polar Surface Area:37.3
Heavy Atom Count:8
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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