Cas no 1216012-87-1 (2-methyl-1,3-oxazole-5-carboxylic acid)

2-methyl-1,3-oxazole-5-carboxylic acid structure
1216012-87-1 structure
Product Name:2-methyl-1,3-oxazole-5-carboxylic acid
CAS No:1216012-87-1
MF:C5H5NO3
MW:127.098101377487
MDL:MFCD12403806
CID:1026967
PubChem ID:23361717
Update Time:2025-04-20

2-methyl-1,3-oxazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Methyloxazole-5-carboxylic acid
    • 2-Methyl-oxazole-5-carboxylic acid
    • 2-methyl-5-Oxazolecarboxylic acid
    • AK-43778
    • ANW-61861
    • CTK8B9029
    • MolPort-008-425-738
    • SureCN8303534
    • 2-methyl-1,3-oxazole-5-carboxylic acid
    • 5-Oxazolecarboxylic acid, 2-methyl-
    • 1216012-87-1
    • 2-Methyloxazole-5-carboxylicacid
    • TS-01664
    • CS-W006682
    • A891572
    • 2-methyl-1,3-oxazole-5-carboxylic acid, AldrichCPR
    • AKOS006223023
    • SCHEMBL8303534
    • MFCD12403806
    • 2-Methyl-oxazole-5-carboxylicacid
    • 2-Methyloxazole-5-carboxylic?acid
    • EN300-117899
    • DTXSID60633358
    • DB-089971
    • SB31857
    • SY034537
    • F13461
    • MDL: MFCD12403806
    • Inchi: 1S/C5H5NO3/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8)
    • InChI Key: MARKCZHBQSQUHU-UHFFFAOYSA-N
    • SMILES: O1C(C(=O)O)=CN=C1C

Computed Properties

  • Exact Mass: 127.026943022g/mol
  • Monoisotopic Mass: 127.026943022g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 125
  • 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
  • XLogP3: 0.6
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Boiling Point: 269.9±13.0°C at 760 mmHg

2-methyl-1,3-oxazole-5-carboxylic acid Security Information

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