3-methylpent-1-yn-3-yl butanoate
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3-methylpent-1-yn-3-yl butanoate
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CAS No:
99180-92-4
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Formula:
C10H16O2
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Chemical Name:
3-methylpent-1-yn-3-yl butanoate
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Synonyms:
99180-92-4;BRN 1764906;3-methylpent-1-yn-3-yl butanoate;1-Pentyn-3-ol, 3-methyl-, butyrate;BUTYRIC ACID, 3-METHYL-1-PENTYN-3-YL ESTER;4-02-00-00794 (Beilstein Handbook Reference);DTXSID10912847;Butyric acid 3-methyl-1-pentyn-3-yl ester
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CAS No:
Computed Properties
Molecular Weight:168.23
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:168.115029749
Monoisotopic Mass:168.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:199
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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