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1-[(2S,3R)-2,3-Dihydro-3-hydroxy-2-(1-methylethenyl)-5-benzofuranyl]ethanone

1-[(2S,3R)-2,3-Dihydro-3-hydroxy-2-(1-methylethenyl)-5-benzofuranyl]ethanone structure

CAS No:
26296-56-0
Formula:
C13H14O3
Chemical Name:
1-[(2S,3R)-2,3-Dihydro-3-hydroxy-2-(1-methylethenyl)-5-benzofuranyl]ethanone
Synonyms:
Ethanone,1-[(2S,3R)-2,3-dihydro-3-hydroxy-2-(1-methylethenyl)-5-benzofuranyl]-;Ketone,2,3-dihydro-3-hydroxy-2-isopropenyl-5-benzofuranyl methyl,(2S,3S)-;Ethanone,1-[2,3-dihydro-3-hydroxy-2-(1-methylethenyl)-5-benzofuranyl]-,(2S-trans)-;1-[(2S,3R)-2,3-Dihydro-3-hydroxy-2-(1-methylethenyl)-5-benzofuranyl]ethanone;Toxol;Benzofuran,5-acetyl-2,3-dihydro-3-hydroxy-2-isopropenyl-,(2S,3R)-(-)-;NSC 247530

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1-[(2S,3R)-2,3-Dihydro-3-hydroxy-2-(1-methylethenyl)-5-benzofuranyl]ethanone Basic Attributes

Molecular Weight：

218.25 g/mol

Exact Mass：

218.25

NSC Number：

247530

Characteristics

PSA：

46.5 Å²

Melting Point：

52-53 °C

Computed Properties

Molecular Weight:218.25
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:218.094294304
Monoisotopic Mass:218.094294304
Topological Polar Surface Area:46.5
Heavy Atom Count:16
Complexity:310
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[(2S,3R)-2,3-Dihydro-3-hydroxy-2-(1-methylethenyl)-5-benzofuranyl]ethanone

Basic Attributes
Characteristics
Computed Properties

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