Cas no 64198-85-2 (2-(2,6-dioxooxan-4-yl)acetic acid)

2-(2,6-dioxooxan-4-yl)acetic acid structure
64198-85-2 structure
Product Name:2-(2,6-dioxooxan-4-yl)acetic acid
CAS No:64198-85-2
MF:C7H8O5
MW:172.135422706604
MDL:MFCD20642183
CID:1672108
PubChem ID:54138115
Update Time:2025-04-21

2-(2,6-dioxooxan-4-yl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2H-Pyran-4-acetic acid, tetrahydro-2,6-dioxo-
    • 2-(2,6-dioxo-tetrahydro-2H-pyran-4-yl)acetic acid
    • DA-04085
    • EN300-245106
    • 2-(2,6-dioxooxan-4-yl)aceticacid
    • SCHEMBL9060863
    • (2,6-dioxooxan-4-yl)acetic acid
    • 64198-85-2
    • 2-(2,6-dioxooxan-4-yl)acetic acid
    • MDL： MFCD20642183
    • Inchi： 1S/C7H8O5/c8-5(9)1-4-2-6(10)12-7(11)3-4/h4H,1-3H2,(H,8,9)
    • InChI Key： NZDOCJDBCZVIDQ-UHFFFAOYSA-N
    • SMILES： O1C(CC(CC(=O)O)CC1=O)=O

Computed Properties

  • Exact Mass: 172.03714
  • Monoisotopic Mass: 172.037
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 216
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 80.7A^2
  • XLogP3: -0.7

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 432.7±18.0 °C at 760 mmHg
  • Flash Point: 186.5±14.7 °C
  • PSA: 80.67
  • Vapor Pressure: 0.0±2.2 mmHg at 25°C

2-(2,6-dioxooxan-4-yl)acetic acid Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D487480-2.5mg
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 $ 50.00 2022-06-05
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A2B Chem LLC
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A2B Chem LLC
AV85919-100mg
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A2B Chem LLC
AV85919-250mg
2-(2,6-dioxooxan-4-yl)acetic acid
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A2B Chem LLC
AV85919-500mg
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A2B Chem LLC
AV85919-1g
2-(2,6-dioxooxan-4-yl)acetic acid
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 $1646.00 2024-04-19
A2B Chem LLC
AV85919-2.5g
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 64198-85-2 80%
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Enamine
EN300-245106-1g
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