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Dicarboxylic acids and derivatives
Description:
Organic compounds containing exactly two carboxylic acid groups.
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3-Ethoxy-2-methyl-3-oxopropanoic acidCas Number: 2985-33-3 Compound CID: 295972Formula: C6H10O4 Molecular Weight: 146.14IUPAC Name: 3-ethoxy-2-methyl-3-oxopropanoic acidSMILES: CCOC(=O)C(C)C(=O)OInChIKey: REGOCDRDNZNRMC-UHFFFAOYSA-NInChI: InChI=1S/C6H10O4/c1-3-10-6(9)4(2)5(7)8/h4H,3H2,1-2H3,(H,7,8)
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N,N-Di-(beta-carboethoxyethyl)methylamineCas Number: 6315-60-2 Compound CID: 228362Formula: C11H21NO4 Molecular Weight: 231.29IUPAC Name: ethyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]propanoateSMILES: CCOC(=O)CCN(C)CCC(=O)OCCInChIKey: OXZUPKSEIKZASL-UHFFFAOYSA-NInChI: InChI=1S/C11H21NO4/c1-4-15-10(13)6-8-12(3)9-7-11(14)16-5-2/h4-9H2,1-3H3
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N-(2-carboxyethyl)-N-dodecyl-β-alanineCas Number: 17066-08-9 Compound CID: 19295Formula: C18H35NO4 Molecular Weight: 329.5IUPAC Name: 3-[2-carboxyethyl(dodecyl)amino]propanoic acidSMILES: CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)OInChIKey: XYYUAOIALFMRGY-UHFFFAOYSA-NInChI: InChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23/h2-16H2,1H3,(H,20,21)(H,22,23)
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Monoethyl trans-1,4-cyclohexanedicarboxylateCas Number: 15177-66-9 Compound CID: 296933Formula: C10H16O4 Molecular Weight: 200.23IUPAC Name: 4-ethoxycarbonylcyclohexane-1-carboxylic acidSMILES: CCOC(=O)C1CCC(CC1)C(=O)OInChIKey: FAFFYFMLKGDSEQ-UHFFFAOYSA-NInChI: InChI=1S/C10H16O4/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h7-8H,2-6H2,1H3,(H,11,12)
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Diisobutyl cyclohexane-1,2-dicarboxylateCas Number: 70969-58-3 Compound CID: 116722Formula: C16H28O4 Molecular Weight: 284.39IUPAC Name: bis(2-methylpropyl) cyclohexane-1,2-dicarboxylateSMILES: CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)CInChIKey: QUKHPBOCBWDYMW-UHFFFAOYSA-NInChI: InChI=1S/C16H28O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h11-14H,5-10H2,1-4H3
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Diethyl 3,3'-thiodipropanoateCas Number: 673-79-0 Compound CID: 69603Formula: C10H18O4S Molecular Weight: 234.31IUPAC Name: ethyl 3-(3-ethoxy-3-oxopropyl)sulfanylpropanoateSMILES: CCOC(=O)CCSCCC(=O)OCCInChIKey: VCXUFKFNLUTDAX-UHFFFAOYSA-NInChI: InChI=1S/C10H18O4S/c1-3-13-9(11)5-7-15-8-6-10(12)14-4-2/h3-8H2,1-2H3
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DiallyloxalateCas Number: 615-99-6 Compound CID: 69215Formula: C8H10O4 Molecular Weight: 170.16IUPAC Name: bis(prop-2-enyl) oxalateSMILES: C=CCOC(=O)C(=O)OCC=CInChIKey: BKXRKRANFLFTFU-UHFFFAOYSA-NInChI: InChI=1S/C8H10O4/c1-3-5-11-7(9)8(10)12-6-4-2/h3-4H,1-2,5-6H2Synonyms: Diallyl oxalate | bis(prop-2-en-1-yl) oxalate | Oxalic acid, diallyl ester | bis(prop-2-enyl) oxalate
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4-oxocyclopentane-1,2-dicarboxylic acidIUPAC Name: 4-oxocyclopentane-1,2-dicarboxylic acidSMILES: C1C(C(CC1=O)C(=O)O)C(=O)OInChIKey: CJSMOECOKYPHSC-UHFFFAOYSA-NInChI: InChI=1S/C7H8O5/c8-3-1-4(6(9)10)5(2-3)7(11)12/h4-5H,1-2H2,(H,9,10)(H,11,12)
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2-oxaspiro[4.4]nonane-1,3-dioneCas Number: 5623-90-5 Compound CID: 2737102Formula: C8H10O3 Molecular Weight: 154.17IUPAC Name: 2-oxaspiro[4.4]nonane-1,3-dioneSMILES: C1CCC2(C1)CC(=O)OC2=OInChIKey: HOKKSYPZFBKQAZ-UHFFFAOYSA-NInChI: InChI=1S/C8H10O3/c9-6-5-8(7(10)11-6)3-1-2-4-8/h1-5H2
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2-Ethylbutanoic anhydrideCas Number: 54502-37-3 Compound CID: 96332Formula: C12H22O3 Molecular Weight: 214.305IUPAC Name: 2-ethylbutanoyl 2-ethylbutanoateSMILES: CCC(CC)C(=O)OC(=O)C(CC)CCInChIKey: YCURDTPXHPXCKH-UHFFFAOYSA-NInChI: InChI=1S/C12H22O3/c1-5-9(6-2)11(13)15-12(14)10(7-3)8-4/h9-10H,5-8H2,1-4H3
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1,2-Bis(bromoacetoxy)ethaneIUPAC Name: 2-(2-bromoacetyl)oxyethyl 2-bromoacetateSMILES: C(COC(=O)CBr)OC(=O)CBrInChIKey: WGHAPLWNJPAJDE-UHFFFAOYSA-NInChI: InChI=1S/C6H8Br2O4/c7-3-5(9)11-1-2-12-6(10)4-8/h1-4H2
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1,2-Cyclopentane diformic anhydrideCas Number: 5763-49-5Formula: C7H8O3 Molecular Weight: 140.138IUPAC Name: 4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dioneSMILES: C1CC2C(C1)C(=O)OC2=OInChIKey: NMSRALOLNIBERV-UHFFFAOYSA-NInChI: InChI=1S/C7H8O3/c8-6-4-2-1-3-5(4)7(9)10-6/h4-5H,1-3H2
