Cas no 23012-17-1 (2-methyl-1,3-oxazole-4-carboxylic acid)

2-methyl-1,3-oxazole-4-carboxylic acid structure
23012-17-1 structure
Product Name:2-methyl-1,3-oxazole-4-carboxylic acid
CAS No:23012-17-1
MF:C5H5NO3
MW:127.098101377487
MDL:MFCD00234078
CID:251624
PubChem ID:539404
Update Time:2024-10-30

2-methyl-1,3-oxazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Methyloxazole-4-carboxylic acid
    • 2-Methyl-1,3-oxazole-4-carboxylic acid
    • 2-methyl-oxazole-4-carboxylic acid
    • 4-Oxazolecarboxylicacid, 2-methyl-
    • 4-oxazolecarboxylic acid, 2-methyl-
    • IARMCEYEYXXEOS-UHFFFAOYSA-N
    • 2-Methyloxa
    • Oxazole-4-carboxylic acid, 2-methyl-
    • 2-methyloxazol-4-carboxylic acid
    • 4-Carboxy-2-methyl-1,3-oxazole
    • BBL028443
    • STK661733
    • SBB019457
    • RP19727
    • AB05124
    • 2-Methyloxazole-4-car
    • F9995-3847
    • AKOS000112112
    • 23012-17-1
    • SCHEMBL222642
    • 2-methyloxazole-4-carboxylicacid
    • DTXSID60337162
    • SY015418
    • AM20090243
    • FT-0648233
    • J-510072
    • MFCD00234078
    • TS-01663
    • 2-Methyloxazole-4-carboxylic acid, 97%
    • 2-Methyl-1,3-oxazole-4-carboxylic acid #
    • EN300-105066
    • 23062-17-1
    • BB 0238589
    • YAA06217
    • CS-0061380
    • FT-0647017
    • A878359
    • AC-11857
    • DB-011061
    • ALBB-016466
    • oxazole, 4-carboxy-2-methyl-
    • 2-methyl-1,3-oxazole-4-carboxylic acid
    • MDL: MFCD00234078
    • Inchi: 1S/C5H5NO3/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)
    • InChI Key: IARMCEYEYXXEOS-UHFFFAOYSA-N
    • SMILES: O1C=C(C(=O)O)N=C1C

Computed Properties

  • Exact Mass: 129.04300
  • Monoisotopic Mass: 127.027
  • 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
  • Topological Polar Surface Area: 63.3
  • XLogP3: 0.6

Experimental Properties

  • Density: 1.348
  • Melting Point: 182-187?°C
  • Boiling Point: 269.9 °C at 760 mmHg
  • Flash Point: 269.9 °C at 760 mmHg
  • Refractive Index: 1.536
  • PSA: 49.77000
  • LogP: -0.23020

2-methyl-1,3-oxazole-4-carboxylic acid Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H319
  • Warning Statement: P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:1

2-methyl-1,3-oxazole-4-carboxylic acid Pricemore >>

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