6-Hydroxy-7-[(3-methyl-2-buten-1-yl)oxy]-2H-chromen-2-one
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![6-Hydroxy-7-[(3-methyl-2-buten-1-yl)oxy]-2H-chromen-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f4d4060b4876486083eac09ba3258764.png "6-Hydroxy-7-[(3-methyl-2-buten-1-yl)oxy]-2H-chromen-2-one")
6-Hydroxy-7-[(3-methyl-2-buten-1-yl)oxy]-2H-chromen-2-one
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CAS No:
15870-91-4
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Formula:
C14H14O4
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Chemical Name:
6-Hydroxy-7-[(3-methyl-2-buten-1-yl)oxy]-2H-chromen-2-one
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Synonyms:
(E)-1-hydroxy-1-phenylhex-4-en-3-one; 6-hydroxy-7-[(3-methyl-2-buten-1-yl)oxy]-2H-1-benzopyran-2-one; 6-hydroxy-7-(3,3-dimethylallyloxy)coumarin; 7-O-(3,3-Dimethylallyl)-aesculetin; 4-Hexen-3-one,1-hydroxy-1-phenyl-,(4E); 6-hydroxy-6-phenyl-2-hexen-4-one; 6-hydroxy-7-prenyloxycoumarin;Expand
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CAS No:
6-Hydroxy-7-[(3-methyl-2-buten-1-yl)oxy]-2H-chromen-2-one Basic Attributes
246.25900
246.08920892
2932209090
Characteristics
59.67000
2.84360
1.237g/cm3
451.6ºC
173.9ºC
1.585
8.97E-09mmHg at 25°C
153.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Computed Properties
Molecular Weight:246.26
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:246.08920892
Monoisotopic Mass:246.08920892
Topological Polar Surface Area:55.8
Heavy Atom Count:18
Complexity:368
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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