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3,5-dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl]benzoic acid | 1110767-89-9
1110767-89-9

Product name:3,5-dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl]benzoic acid

CAS No:1110767-89-9
MF:C13H12Cl2O4
MW:303.137982368469
MDL:MFCD29918463
CID:2357883
PubChem ID:25182382
Names and Identifiers
  • (E)-3,5-dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl)benzoic acid
  • (E)-3,5-dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)benzoic acid
  • 3,5-dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl]benzoic acid
  • (E)-3,5-Dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl)benzoic acid
  • CS-0158441
  • SCHEMBL3057078
  • 1110767-01-5
  • 3,5-Dichloro-4-(3-methoxy-2-methyl-3-oxoprop-1-en-1-yl)benzoic acid
  • AC-29014
  • 2089386-33-2
  • AKOS027327366
  • C13H12Cl2O4
  • (E)-3,5-dichloro-4-(2-ethyloxycarbonylpropenyl)benzoic acid
  • MFCD29918463
  • 3,5-dichloro-4-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]benzoic acid
  • 3,5-Dichloro-4-[(1e)-3-ethoxy-2-methyl-3-oxo-1-propen-1-yl]benzoic acid
  • DS-11376
  • LS-14191
  • 1110767-89-9
  • DB-215128
  • SC5070
  • DB-204850
  • 3,5-Dichloro-4-(3-methoxy-2-methyl-3-oxoprop-1-en-1-yl)benzoicacid
  • 4-((E)-2-(ethoxycarbonyl)prop-1-enyl)-3,5-dichlorobenzoic acid
  • MDL:MFCD29918463
  • InChIKey:YHVIKIKTANFPCN-QPJJXVBHSA-N
  • Inchi:1S/C13H12Cl2O4/c1-3-19-13(18)7(2)4-9-10(14)5-8(12(16)17)6-11(9)15/h4-6H,3H2,1-2H3,(H,16,17)/b7-4+
  • SMILES:ClC1C=C(C(=O)O)C=C(C=1/C=C(/C(=O)OCC)\C)Cl
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 302.0112642g/mol
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Rotatable Bond Count: 5
  • Monoisotopic Mass: 302.0112642g/mol
  • Heavy Atom Count: 19
  • Complexity: 369
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 3.7
  • Topological Polar Surface Area: 63.6Ų

Experimental Properties

  • Solubility: Almost insoluble (0.022 g/l) (25 º C),
  • Density: 1.380±0.06 g/cm3 (20 ºC 760 Torr),
Security Information
  • Hazard Statement:H302
  • Warning Statement:P280-P305+P351+P338
  • Storage Condition:Sealed in dry,Room Temperature
  • Signal Word:Warning
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    (CAS:1110767-89-9)3,5-dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl]benzoic acid

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    30 August 2024

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D751855-1g97%1g$31507 Jun. 2024
D751855-250mg97%250mg$21007 Jun. 2024
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AE19525-5g95%in stock5g$568.0020 Apr. 2024
AE19525-1g95%in stock1g$169.0020 Apr. 2024
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D434433-2g0.02g$930.0018 May. 2023
D434433-1g0.01g$523.0018 May. 2023
D434433-500mg0.0500mg$299.0018 May. 2023
D434433-250mg0.0250mg$173.0018 May. 2023
D434433-100mg0.0100mg$92.0018 May. 2023
D434433-50mg0.050mg$64.0018 May. 2023
Brand:乐研Supplier:上海皓鸿生物医药科技有限公司
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1229081-5g98%上海:6/安徽:--/武汉:1/成都:> 10/天津:/深圳:5g¥216017 Apr. 2023
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PBTYC2188-500mg95%美国:0/中国:0500mg¥449.026 Apr. 2024
PBTYC2188-250mg95%美国:0/中国:0250mg¥270.026 Apr. 2024
PBTYC2188-100mg95%美国:0/中国:0100mg¥204.026 Apr. 2024
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