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1110767-89-9

(name: 3,5-dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl]benzoic acid)
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:C13H12O4Cl2
MW:303.13798
MDL:MFCD29918463
CID:2357883

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
  • MDL:MFCD29918463
  • InChIKey:YHVIKIKTANFPCN-QPJJXVBHSA-N
  • Inchi: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:O=C(O)C1=CC(Cl)=C(/C=C(C)/C(OCC)=O)C(Cl)=C1

Chemical and Physical Properties

Computed Properties

  • 氢键供体数量: 1
  • 氢键受体数量: 4
  • 可旋转化学键数量: 5
  • 重原子数量: 19

Experimental Properties

  • 溶解度: 几乎不溶 (0.022 g/L) (25 ºC),
  • 密度: 1.380±0.06 g/cm3 (20 ºC 760 Torr),
Security Information
  • 危害声明:H302
  • 警示性声明:P280-P305+P351+P338
  • 储存条件:Sealed in dry,Room Temperature
  • 信号词: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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