Carbamic acid, (aminocarbonyl)-, 1-ethyl-1-methyl-2-propynyl ester (9CI)
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Carbamic acid, (aminocarbonyl)-, 1-ethyl-1-methyl-2-propynyl ester (9CI)
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CAS No:
77967-00-1
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Formula:
C8H12N2O3
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Chemical Name:
Carbamic acid, (aminocarbonyl)-, 1-ethyl-1-methyl-2-propynyl ester (9CI)
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Synonyms:
BRN 1781912;1-Pentyn-3-ol, 3-methyl-, allophanate;3-Methyl-pentin-1-allophanat-(3) [German];3-Methyl-pentin-1-allophanat-(3);ALLOPHANIC ACID, 3-METHYL-1-PENTYN-3-YL ESTER;4-03-00-00134 (Beilstein Handbook Reference);DTXSID70999194;Allophanic acid 1-methyl-1-ethyl-2-propynyl ester;N-{Hydroxy[(3-methylpent-1-yn-3-yl)oxy]methylidene}carbamimidic acid
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CAS No:
Carbamic acid, (aminocarbonyl)-, 1-ethyl-1-methyl-2-propynyl ester (9CI) Basic Attributes
184.19
184.08479225
Computed Properties
Molecular Weight:184.19
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:184.08479225
Monoisotopic Mass:184.08479225
Topological Polar Surface Area:81.4
Heavy Atom Count:13
Complexity:266
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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