Cas no 104629-96-1 (methyl (3S)-3-hydroxy-5-methoxypentanoate)

methyl (3S)-3-hydroxy-5-methoxypentanoate structure
104629-96-1 structure
Product Name:methyl (3S)-3-hydroxy-5-methoxypentanoate
CAS No:104629-96-1
MF:C7H14O4
MW:162.183662891388
CID:3570028
PubChem ID:165678271
Update Time:2025-04-22

methyl (3S)-3-hydroxy-5-methoxypentanoate Chemical and Physical Properties

Names and Identifiers

    • Pentanoic acid, 3-hydroxy-5-methoxy-, methyl ester, (S)-
    • methyl (3S)-3-hydroxy-5-methoxypentanoate
    • EN300-1822652
    • 104629-96-1
    • Inchi: 1S/C7H14O4/c1-10-4-3-6(8)5-7(9)11-2/h6,8H,3-5H2,1-2H3/t6-/m0/s1
    • InChI Key: GKSPXQIJGLCHNG-LURJTMIESA-N
    • SMILES: O[C@H](CC(=O)OC)CCOC

Computed Properties

  • Exact Mass: 162.08920892Da
  • Monoisotopic Mass: 162.08920892Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 6
  • Complexity: 113
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.4
  • Topological Polar Surface Area: 55.8?2

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1822652-1g
methyl (3S)-3-hydroxy-5-methoxypentanoate
104629-96-1
1g
$1658.0 2023-09-19
Enamine
EN300-1822652-5g
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$4806.0 2023-09-19
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$1393.0 2023-09-19
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$1459.0 2023-09-19
Enamine
EN300-1822652-0.25g
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$1525.0 2023-09-19
Enamine
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$1591.0 2023-09-19
Enamine
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$1658.0 2023-06-01
Enamine
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Enamine
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104629-96-1
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$4806.0 2023-06-01
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