Cas no 812642-66-3 (2-(4-Formyl-2-methoxy-6-nitrophenoxy)propanoic acid)

2-(4-Formyl-2-methoxy-6-nitrophenoxy)propanoic acid structure
812642-66-3 structure
Product Name:2-(4-Formyl-2-methoxy-6-nitrophenoxy)propanoic acid
CAS No:812642-66-3
MF:C11H11NO7
MW:269.207543611526
CID:869715
PubChem ID:3719980
Update Time:2025-04-19

2-(4-Formyl-2-methoxy-6-nitrophenoxy)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Formyl-2-methoxy-6-nitrophenoxy)propanoic acid
    • CHEMBRDG-BB 6755049
    • AKOS022060367
    • 812642-66-3
    • 2-(4-formyl-2-methoxy-6-nitrophenoxy)propanoic acid, AldrichCPR
    • SCHEMBL2559632
    • DTXSID60395489
    • AKOS000113790
    • CS-0116835
    • MDL： MFCD05625239
    • Inchi： 1S/C11H11NO7/c1-6(11(14)15)19-10-8(12(16)17)3-7(5-13)4-9(10)18-2/h3-6H,1-2H3,(H,14,15)
    • InChI Key： JANBLAADNZANNL-UHFFFAOYSA-N
    • SMILES： O(C(C(=O)O)C)C1C(=CC(C=O)=CC=1[N+](=O)[O-])OC

Computed Properties

  • Exact Mass: 269.05400
  • Monoisotopic Mass: 269.054
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • Complexity: 353
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 119?2

Experimental Properties

  • Density: 1.424
  • Boiling Point: 484.9°C at 760 mmHg
  • Flash Point: 247°C
  • Refractive Index: 1.589
  • PSA: 118.65000
  • LogP: 1.79100

2-(4-Formyl-2-methoxy-6-nitrophenoxy)propanoic acid Security Information

  • Hazard Category Code： 25
  • Safety Instruction： 45
  • Hazardous Material Identification： T

2-(4-Formyl-2-methoxy-6-nitrophenoxy)propanoic acid Customs Data

  • HS CODE：2918990090
  • Customs Data：

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

2-(4-Formyl-2-methoxy-6-nitrophenoxy)propanoic acid Related Literature

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