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Carboxylic acid esters
Description:
Carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
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Methyl 1-methylcyclobutane-1-carboxylateCas Number: 75621-39-5Formula: C7H12O2 Molecular Weight: 128.17SMILES: CC1(CCC1)C(=O)OCInChIKey: HWHPNCYVVJDMOE-UHFFFAOYSA-NInChI: InChI=1S/C7H12O2/c1-7(4-3-5-7)6(8)9-2/h3-5H2,1-2H3
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Methyl 1-methylcyclopentane-1-carboxylateCas Number: 4630-83-5 Compound CID: 138306Formula: C8H14O2 Molecular Weight: 142.2IUPAC Name: methyl 1-methylcyclopentane-1-carboxylateSMILES: CC1(CCCC1)C(=O)OCInChIKey: SUCGJXDLZCDFRV-UHFFFAOYSA-NInChI: InChI=1S/C8H14O2/c1-8(7(9)10-2)5-3-4-6-8/h3-6H2,1-2H3
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Ethyl 2-(3-chloropropoxy)acetateCas Number: 143165-48-4 Compound CID: 21652279Formula: C7H13ClO3 Molecular Weight: 180.63IUPAC Name: ethyl 2-(3-chloropropoxy)acetateSMILES: CCOC(=O)COCCCClInChIKey: WWUOQCGCASJPHJ-UHFFFAOYSA-NInChI: InChI=1S/C7H13ClO3/c1-2-11-7(9)6-10-5-3-4-8/h2-6H2,1H3
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Butyl 3-butoxypropanoateCas Number: 14144-48-0 Compound CID: 347708Formula: C11H22O3 Molecular Weight: 202.29IUPAC Name: butyl 3-butoxypropanoateSMILES: CCCCOCCC(=O)OCCCCInChIKey: BMOACRKLCOIODC-UHFFFAOYSA-NInChI: InChI=1S/C11H22O3/c1-3-5-8-13-10-7-11(12)14-9-6-4-2/h3-10H2,1-2H3
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6-Chlorohexyl acetateCas Number: 40200-18-8Formula: C8H15ClO2 Molecular Weight: 178.66SMILES: CC(=O)OCCCCCCClInChIKey: AHEBJCQIQYFSGF-UHFFFAOYSA-NInChI: InChI=1S/C8H15ClO2/c1-8(10)11-7-5-3-2-4-6-9/h2-7H2,1H3
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3-iodo-1-propanol acetateCas Number: 62116-24-9 Compound CID: 12525562IUPAC Name: 3-iodopropyl acetateSMILES: CC(=O)OCCCIInChIKey: LSHRXKHZRVFVOU-UHFFFAOYSA-NInChI: InChI=1S/C5H9IO2/c1-5(7)8-4-2-3-6/h2-4H2,1H3
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3-Hydroxy-2,2-dimethyl-1-(1-methylethyl)propyl isobutyrateCas Number: 18491-15-1Formula: C12H24O3 Molecular Weight: 216.3172SMILES: CC(C)C(C(C)(C)CO)OC(=O)C(C)CInChIKey: OMIPYZUJVKWOLI-UHFFFAOYSA-NInChI: InChI=1S/C12H24O3/c1-8(2)10(12(5,6)7-13)15-11(14)9(3)4/h8-10,13H,7H2,1-6H3
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2-ethylhexyl formateCas Number: 5460-45-7 Compound CID: 95568Formula: C9H18O2 Molecular Weight: 158.24IUPAC Name: 2-ethylhexyl formateSMILES: CCCCC(CC)COC=OInChIKey: SIZYAYFVBQLSJP-UHFFFAOYSA-NInChI: InChI=1S/C9H18O2/c1-3-5-6-9(4-2)7-11-8-10/h8-9H,3-7H2,1-2H3
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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 2-MercaptopropionateCas Number: 19788-49-9Formula: C5H10O2S Molecular Weight: 134.19IUPAC Name: ethyl 2-sulfanylpropanoateSMILES: CCOC(=O)C(C)SInChIKey: LXXNWCFBZHKFPT-UHFFFAOYSA-NInChI: InChI=1S/C5H10O2S/c1-3-7-5(6)4(2)8/h4,8H,3H2,1-2H3Synonyms: 2-Mercaptopropionic Acid Ethyl Ester | Ethyl thiolactate
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Methyl 2,2-DifluoropropanoateCas Number: 38650-84-9Formula: C4H6F2O2 Molecular Weight: 124.09IUPAC Name: methyl 2,2-difluoropropanoateSMILES: CC(C(=O)OC)(F)FInChIKey: RWBWZPDOQVNCHU-UHFFFAOYSA-NInChI: InChI=1S/C4H6F2O2/c1-4(5,6)3(7)8-2/h1-2H3
