erythro-Pentaric acid, 3-deoxy-, 1,4-lactone, 5-methyl ester (9CI)
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erythro-Pentaric acid, 3-deoxy-, 1,4-lactone, 5-methyl ester (9CI)
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CAS No:
123356-13-8
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Formula:
C6H8O5
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Chemical Name:
erythro-Pentaric acid, 3-deoxy-, 1,4-lactone, 5-methyl ester (9CI)
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Synonyms:
(2S,4R)-Methyl 4-hydroxy-5-oxotetrahydrofuran-2-carboxylate
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CAS No:
erythro-Pentaric acid, 3-deoxy-, 1,4-lactone, 5-methyl ester (9CI) Basic Attributes
160.12472
160.037
Computed Properties
Molecular Weight:160.12
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:160.03717335
Monoisotopic Mass:160.03717335
Topological Polar Surface Area:72.8
Heavy Atom Count:11
Complexity:187
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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