Cas no 70988-04-4 (3-(3,5-dimethoxyphenyl)-3-oxopropanenitrile)

3-(3,5-dimethoxyphenyl)-3-oxopropanenitrile structure
70988-04-4 structure
Product Name:3-(3,5-dimethoxyphenyl)-3-oxopropanenitrile
CAS No:70988-04-4
MF:C11H11NO3
MW:205.209943056107
MDL:MFCD00158877
CID:562508
PubChem ID:20387512
Update Time:2025-04-19

3-(3,5-dimethoxyphenyl)-3-oxopropanenitrile Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanenitrile,3,5-dimethoxy-b-oxo-
    • 3-(3,5-DIMETHOXYPHENYL)-3-OXOPROPANENITRILE
    • 3,5-dimethoxbenzoylacetonitrile
    • 3,5-Dimethoxy-benzoylacetonitril
    • 3,5-Dimethoxybenzoylacetonitrile
    • CS-0206459
    • BA-0800
    • AKOS000181019
    • SCHEMBL1915774
    • F79415
    • DTXSID10606557
    • J-510578
    • SY268651
    • LKMXJVUYRSDTPZ-UHFFFAOYSA-N
    • 70988-04-4
    • 2-(4-BOC-PIPERAZINYL)-2-(3-CYANO-PHENYL)ACETICACID
    • A9329
    • MFCD00158877
    • VCA98804
    • FT-0604173
    • 3-(3',5'-DIMETHOXYPHENYL)-3-OXOPROPANENITRILE
    • STL124116
    • 3-(3,5-dimethoxyphenyl)-3-oxopropanenitrile
    • MDL： MFCD00158877
    • Inchi： 1S/C11H11NO3/c1-14-9-5-8(11(13)3-4-12)6-10(7-9)15-2/h5-7H,3H2,1-2H3
    • InChI Key： LKMXJVUYRSDTPZ-UHFFFAOYSA-N
    • SMILES： O(C)C1C=C(C=C(C(CC#N)=O)C=1)OC

Computed Properties

  • Exact Mass: 205.07400
  • Monoisotopic Mass: 205.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 256
  • 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: 1.4
  • Topological Polar Surface Area: 59.3?2

Experimental Properties

  • Melting Point: 121-123°C
  • PSA: 59.32000
  • LogP: 1.80018

3-(3,5-dimethoxyphenyl)-3-oxopropanenitrile Security Information

  • Safety Instruction： 38-28B
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT
  • Risk Phrases：R22

3-(3,5-dimethoxyphenyl)-3-oxopropanenitrile Customs Data

  • HS CODE：2926909090
  • Customs Data：

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-(3,5-dimethoxyphenyl)-3-oxopropanenitrile Pricemore >>

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3-(3,5-dimethoxyphenyl)-3-oxopropanenitrile Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:70988-04-4)3-(3,5-dimethoxyphenyl)-3-oxopropanenitrile
Order Number:A9329
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 15:09
Price ($):428.0

3-(3,5-dimethoxyphenyl)-3-oxopropanenitrile Related Literature

70988-04-4 (3-(3,5-dimethoxyphenyl)-3-oxopropanenitrile) Related Products

Recommended suppliers
Amadis Chemical Company Limited
(CAS:70988-04-4)3-(3,5-dimethoxyphenyl)-3-oxopropanenitrile
A9329
Purity:99%
Quantity:5g
Price ($):428.0
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