Cas no 54781-93-0 (Dimethyl 1H-indole-2,3-dicarboxylate)

Dimethyl 1H-indole-2,3-dicarboxylate structure
54781-93-0 structure
Product Name:Dimethyl 1H-indole-2,3-dicarboxylate
CAS No:54781-93-0
MF:C12H11NO4
MW:233.220043420792
MDL:MFCD00082731
CID:374342
PubChem ID:24863068
Update Time:2025-04-19

Dimethyl 1H-indole-2,3-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • Dimethyl 1H-indole-2,3-dicarboxylate
    • 1H-indole-2,3-dicarboxylic acid
    • 1H-Indole-2,3-dicarboxylicacid, 2,3-dimethyl ester
    • Dimethyl 2,3-indoledicarboxylate
    • Dimethyl indole-2,3-dicarboxylate
    • Dimethyl Indole-2,5-Dicarboxylate
    • 2,3-dicarbomethoxyindole
    • JNRXSMOJWKDVHC-UHFFFAOYSA-N
    • Indole-2,3-dicarboxylic acid, dimethyl(ester)
    • 1H-indole-2,3-dicarboxylic acid dimethyl ester
    • methyl 2-(methoxycarbonyl)indole-3-carboxylate
    • Maybridge1_006201
    • Oprea1_099063
    • 1H-Indole-2,3-dicarboxylic acid, 2,3-dimethyl ester
    • HMS559B
    • FT-0609499
    • Dimethyl 1H-indole-2,3-dicarboxylate #
    • D-1850
    • SCHEMBL3275502
    • CCG-248588
    • DTXSID40203255
    • DIMETHYLINDOLE-2,3-DICARBOXYLATE
    • AKOS015898309
    • SDCCGMLS-0066201.P001
    • Dimethyl 2,3-indoledicarboxylate, 98%
    • C75571
    • DS-17351
    • 54781-93-0
    • MFCD00082731
    • CS-W010344
    • HMS559B19
    • 2,3-dimethyl 1H-indole-2,3-dicarboxylate
    • DTXCID40125746
    • DB-052648
    • MDL: MFCD00082731
    • Inchi: 1S/C12H11NO4/c1-16-11(14)9-7-5-3-4-6-8(7)13-10(9)12(15)17-2/h3-6,13H,1-2H3
    • InChI Key: JNRXSMOJWKDVHC-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=C(C(=O)OC)NC2C=CC=CC=21)=O

Computed Properties

  • Exact Mass: 233.06900
  • Monoisotopic Mass: 233.069
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 318
  • 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: 68.4
  • Surface Charge: 0
  • Tautomer Count: 7
  • XLogP3: 2.1

Experimental Properties

  • Color/Form: Not available
  • Density: 1.2697 (rough estimate)
  • Melting Point: 113-114?°C (lit.)
  • Boiling Point: 375.46°C (rough estimate)
  • Flash Point: 175.5°C
  • Refractive Index: 1.5560 (estimate)
  • PSA: 68.39000
  • LogP: 1.74110
  • Solubility: Not available

Dimethyl 1H-indole-2,3-dicarboxylate Security Information

  • Hazard Statement: Irritant
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Safety Instruction: S24/25
  • Hazardous Material Identification: Xi
  • Safety Term:S24/25

Dimethyl 1H-indole-2,3-dicarboxylate Pricemore >>

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Fluorochem
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£131.00 2022-03-01
Fluorochem
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£640.00 2022-03-01
Alichem
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$169.60 2023-09-01
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