2-Butynoicacid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-(9CI)
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![2-Butynoicacid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-(9CI) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/459c0584b8fe4cf39755609b607ac00a.png "2-Butynoicacid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-(9CI)")
2-Butynoicacid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-(9CI)
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CAS No:
168762-94-5
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Formula:
C9H13NO4
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Chemical Name:
2-Butynoicacid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-(9CI)
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Synonyms:
4-(TERT-BUTOXYCARBONYLAMINO)BUT-2-YNOIC ACID;4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-ynoic acid;4-((tert-Butoxycarbonyl)amino)but-2-ynoic acid;4-[(TERT-BUTOXYCARBONYL)AMINO]BUT-2-YNOIC ACID;SCHEMBL21410149;CTK8E4628;4-([(TERT-BUTOXY)CARBONYL]AMINO)BUT-2-YNOIC ACID;ZINC39091262;AKOS015855431;AS-40967
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CAS No:
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:199.20
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:199.08445790
Monoisotopic Mass:199.08445790
Topological Polar Surface Area:75.6
Heavy Atom Count:14
Complexity:289
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-Butynoicacid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-(9CI)
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