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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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2-Acetoxy-1-ethoxypropaneCas Number: 54839-24-6 Compound CID: 171378Formula: C7H14O3 Molecular Weight: 146.18IUPAC Name: 1-ethoxypropan-2-yl acetateSMILES: CCOCC(C)OC(=O)CInChIKey: LIPRQQHINVWJCH-UHFFFAOYSA-NInChI: InChI=1S/C7H14O3/c1-4-9-5-6(2)10-7(3)8/h6H,4-5H2,1-3H3 -
tert-butyl 2-methylpropanoateCas Number: 16889-72-8 Compound CID: 519334Formula: C8H16O2 Molecular Weight: 144.21IUPAC Name: tert-butyl 2-methylpropanoateSMILES: CC(C)C(=O)OC(C)(C)CInChIKey: KVWOTUDBCFBGFJ-UHFFFAOYSA-NInChI: InChI=1S/C8H16O2/c1-6(2)7(9)10-8(3,4)5/h6H,1-5H3
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Propyl (S)-(-)-lactateCas Number: 53651-69-7 Compound CID: 2734942Formula: C6H12O3 Molecular Weight: 132.16IUPAC Name: propyl (2S)-2-hydroxypropanoateSMILES: CCCOC(=O)C(C)OInChIKey: ILVGAIQLOCKNQA-YFKPBYRVSA-NInChI: InChI=1S/C6H12O3/c1-3-4-9-6(8)5(2)7/h5,7H,3-4H2,1-2H3/t5-/m0/s1
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O-AcetylethanolamineCas Number: 1854-30-4 Compound CID: 112720Formula: C4H9NO2 Molecular Weight: 103.12IUPAC Name: 2-aminoethyl acetateSMILES: CC(=O)OCCNInChIKey: HBVZRPAKZOLBPL-UHFFFAOYSA-NInChI: InChI=1S/C4H9NO2/c1-4(6)7-3-2-5/h2-3,5H2,1H3
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Methyl 4-(hydroxymethyl)cyclohexanecarboxylate(mixture of isomers)Cas Number: 13380-85-3Formula: C9H16O3 Molecular Weight: 172.23IUPAC Name: methyl 4-(hydroxymethyl)cyclohexane-1-carboxylateSMILES: COC(=O)C1CCC(CC1)COInChIKey: KOGYKIDJFOMAOF-UHFFFAOYSA-NInChI: InChI=1S/C9H16O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h7-8,10H,2-6H2,1H3
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Methyl 3-isocyanatopropanoateCas Number: 50835-77-3 Compound CID: 2769480Formula: C5H7NO3 Molecular Weight: 129.12IUPAC Name: methyl 3-isocyanatopropanoateSMILES: COC(=O)CCN=C=OInChIKey: QLTHBWIACSBXPR-UHFFFAOYSA-NInChI: InChI=1S/C5H7NO3/c1-9-5(8)2-3-6-4-7/h2-3H2,1H3
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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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Methyl 2-(methylthio)propanoateIUPAC Name: methyl 2-methylsulfanylpropanoateSMILES: CC(C(=O)OC)SCInChIKey: QMPSBIWJVUCDKV-UHFFFAOYSA-NInChI: InChI=1S/C5H10O2S/c1-4(8-3)5(6)7-2/h4H,1-3H3
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Methyl 2-(azetidin-3-yl)acetate hydrochlorideCas Number: 1229705-59-2 Compound CID: 73554173Formula: C6H11NO2•HCl Molecular Weight: 165.61IUPAC Name: methyl 2-(azetidin-3-yl)acetate;hydrochlorideSMILES: COC(=O)CC1CNC1.ClInChIKey: ORUKJBPQKUAJQM-UHFFFAOYSA-NInChI: InChI=1S/C6H11NO2.ClH/c1-9-6(8)2-5-3-7-4-5;/h5,7H,2-4H2,1H3;1H
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Methyl 2-(adamantan-1-yl)acetateCas Number: 27174-71-6 Compound CID: 141339Formula: C13H20O2 Molecular Weight: 208.3IUPAC Name: methyl 2-(1-adamantyl)acetateSMILES: COC(=O)CC12CC3CC(C1)CC(C3)C2InChIKey: MZIVXJGBKLZCKF-UHFFFAOYSA-NInChI: InChI=1S/C13H20O2/c1-15-12(14)8-13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11H,2-8H2,1H3
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Methyl 1-bromocyclobutanecarboxylateCas Number: 51175-79-2 Compound CID: 574698Formula: C6H9BrO2 Molecular Weight: 193.04IUPAC Name: methyl 1-bromocyclobutane-1-carboxylateSMILES: COC(=O)C1(CCC1)BrInChIKey: KOKFKKDTWBKYTQ-UHFFFAOYSA-NInChI: InChI=1S/C6H9BrO2/c1-9-5(8)6(7)3-2-4-6/h2-4H2,1H3
