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Alpha,beta-unsaturated carboxylic esters
Description:
Carboxylic esters of general structure R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) or R1C#CC(=O)OR2 (R2= organyl compound), in which the ester group is conjugated to an unsaturated C-C bond.
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Ethyl 2-ethoxyprop-2-enoateCas Number: 22121-86-4Formula: C7H12O3 Molecular Weight: 144.17SMILES: CCOC(=C)C(=O)OCCInChIKey: WXMSGMOIAQWILS-UHFFFAOYSA-NInChI: InChI=1S/C7H12O3/c1-4-9-6(3)7(8)10-5-2/h3-5H2,1-2H3 -
2-Methoxyethyl 2-cyanoacrylateCas Number: 27816-23-5 Compound CID: 119721Formula: C7H9NO3 Molecular Weight: 155.15IUPAC Name: 2-methoxyethyl 2-cyanoprop-2-enoateSMILES: COCCOC(=O)C(=C)C#NInChIKey: JYTXVMYBYRTJTI-UHFFFAOYSA-NInChI: InChI=1S/C7H9NO3/c1-6(5-8)7(9)11-4-3-10-2/h1,3-4H2,2H3
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2-Propynoic acid， 1-methylethyl esterCas Number: 96088-62-9 Compound CID: 15626755Formula: C6H8O2 Molecular Weight: 112.13IUPAC Name: propan-2-yl prop-2-ynoateSMILES: CC(C)OC(=O)C#CInChIKey: OXXHZTDBNXEEFU-UHFFFAOYSA-NInChI: InChI=1S/C6H8O2/c1-4-6(7)8-5(2)3/h1,5H,2-3H3
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1-octyl α-cyanoacrylateCas Number: 6701-17-3Formula: C12H19NO2 Molecular Weight: 209.288SMILES: CCCCCCCCOC(=O)C(=C)C#NInChIKey: RPQUGMLCZLGZTG-UHFFFAOYSA-NInChI: InChI=1S/C12H19NO2/c1-3-4-5-6-7-8-9-15-12(14)11(2)10-13/h2-9H2,1H3
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Ethyl 3-bromopropiolateCas Number: 41658-03-1 Compound CID: 11095178Formula: C5H5BrO2 Molecular Weight: 177IUPAC Name: ethyl 3-bromoprop-2-ynoateSMILES: CCOC(=O)C#CBrInChIKey: DCZXXLMBYWALCP-UHFFFAOYSA-NInChI: InChI=1S/C5H5BrO2/c1-2-8-5(7)3-4-6/h2H2,1H3
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tert-Butyl2-(trifluoromethyl)acrylateCas Number: 105935-24-8 Compound CID: 2782282Formula: C8H11F3O2 Molecular Weight: 196.17IUPAC Name: tert-butyl 2-(trifluoromethyl)prop-2-enoateSMILES: CC(C)(C)OC(=O)C(=C)C(F)(F)FInChIKey: RCSSZBOUAGQERK-UHFFFAOYSA-NInChI: InChI=1S/C8H11F3O2/c1-5(8(9,10)11)6(12)13-7(2,3)4/h1H2,2-4H3
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ethyl 2-bromoacrylateCas Number: 5459-35-8 Compound CID: 229991Formula: C5H7O2Br Molecular Weight: 179.01IUPAC Name: ethyl 2-bromoprop-2-enoateSMILES: CCOC(=O)C(=C)BrInChIKey: UCDOJQCUOURTPS-UHFFFAOYSA-NInChI: InChI=1S/C5H7BrO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3
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ethyl 2-cyclopentylideneacetateCas Number: 1903-22-6 Compound CID: 74699Formula: C9H14O2 Molecular Weight: 154.21IUPAC Name: ethyl 2-cyclopentylideneacetateSMILES: CCOC(=O)C=C1CCCC1InChIKey: TXXWSOKUXUMWRZ-UHFFFAOYSA-NInChI: InChI=1S/C9H14O2/c1-2-11-9(10)7-8-5-3-4-6-8/h7H,2-6H2,1H3
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2-Hydroxypropyl methacrylateCas Number: 923-26-2Formula: C7H12O3 Molecular Weight: 144.17IUPAC Name: 2-hydroxypropyl 2-methylprop-2-enoateSMILES: CC(COC(=O)C(=C)C)OInChIKey: VHSHLMUCYSAUQU-UHFFFAOYSA-NInChI: InChI=1S/C7H12O3/c1-5(2)7(9)10-4-6(3)8/h6,8H,1,4H2,2-3H3
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Methyl 3-bromopropiolateFormula: C4H3BrO2 Molecular Weight: 162.97IUPAC Name: methyl 3-bromoprop-2-ynoateSMILES: COC(=O)C#CBrInChIKey: PITMUHRRCBFULF-UHFFFAOYSA-NInChI: InChI=1S/C4H3BrO2/c1-7-4(6)2-3-5/h1H3
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Methyl 2-Chloro-2-CyclopropylideneacetateCas Number: 82979-45-1 Compound CID: 370750IUPAC Name: methyl 2-chloro-2-cyclopropylideneacetateSMILES: COC(=O)C(=C1CC1)ClInChIKey: JHISBEHOSHGCCJ-UHFFFAOYSA-NInChI: InChI=1S/C6H7ClO2/c1-9-6(8)5(7)4-2-3-4/h2-3H2,1H3
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3-hydroxypropyl methacrylateCas Number: 2761-09-3 Compound CID: 17694Formula: C7H12O3 Molecular Weight: 144.17IUPAC Name: 3-hydroxypropyl 2-methylprop-2-enoateSMILES: CC(=C)C(=O)OCCCOInChIKey: GNSFRPWPOGYVLO-UHFFFAOYSA-NInChI: InChI=1S/C7H12O3/c1-6(2)7(9)10-5-3-4-8/h8H,1,3-5H2,2H3
