2-Benzofurancarboxylicacid,2-ethyl-2,3-dihydro-5-hydroxy-,methylester,(2S)-(9CI)
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2-Benzofurancarboxylicacid,2-ethyl-2,3-dihydro-5-hydroxy-,methylester,(2S)-(9CI)
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CAS No:
653578-63-3
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Formula:
C12H14O4
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Chemical Name:
2-Benzofurancarboxylicacid,2-ethyl-2,3-dihydro-5-hydroxy-,methylester,(2S)-(9CI)
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Synonyms:
SCHEMBL13069922;ZINC38302309;methyl (2S)-2-ethyl-5-hydroxy-3H-1-benzofuran-2-carboxylate;(S)-Methyl 2-ethyl-5-hydroxy-2,3-dihydrobenzofuran-2-carboxylate;methyl (2S)-2-ethyl-5-hydroxy-2,3-dihydro-benzofuran-2-carboxylate
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CAS No:
2-Benzofurancarboxylicacid,2-ethyl-2,3-dihydro-5-hydroxy-,methylester,(2S)-(9CI) Basic Attributes
222.24
222.089
Computed Properties
Molecular Weight:222.24
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:222.08920892
Monoisotopic Mass:222.08920892
Topological Polar Surface Area:55.8
Heavy Atom Count:16
Complexity:278
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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