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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-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylateCas Number: 37503-42-7 Compound CID: 12033823IUPAC Name: 2-hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylateSMILES: C1C2CC(C1C=C2)C(=O)OCCOInChIKey: PHSXOZKMZYKHLY-UHFFFAOYSA-NInChI: InChI=1S/C10H14O3/c11-3-4-13-10(12)9-6-7-1-2-8(9)5-7/h1-2,7-9,11H,3-6H2 -
Methyl 4-formylbicyclo[2.2.2]octane-1-carboxylateCas Number: 94994-25-9 Compound CID: 11074324Formula: C11H16O3 Molecular Weight: 196.24IUPAC Name: methyl 4-formylbicyclo[2.2.2]octane-1-carboxylateSMILES: COC(=O)C12CCC(CC1)(CC2)C=OInChIKey: KNSYWHCOJRHWRP-UHFFFAOYSA-NInChI: InChI=1S/C11H16O3/c1-14-9(13)11-5-2-10(8-12,3-6-11)4-7-11/h8H,2-7H2,1H3
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Methyl 2-FluoropropanoateCas Number: 2366-56-5 Compound CID: 11083845Formula: C4H7FO2 Molecular Weight: 106.1IUPAC Name: methyl 2-fluoropropanoateSMILES: CC(C(=O)OC)FInChIKey: MHAIQPNJLRLFLO-UHFFFAOYSA-NInChI: InChI=1S/C4H7FO2/c1-3(5)4(6)7-2/h3H,1-2H3
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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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Ethyl 3-amino-3-iminopropanoateCas Number: 50551-10-5 Compound CID: 4599837Formula: C5H10N2O2 Molecular Weight: 130.15IUPAC Name: ethyl 3-amino-3-iminopropanoateSMILES: CCOC(=O)CC(=N)NInChIKey: HSDKTLKBDJXJQU-UHFFFAOYSA-NInChI: InChI=1S/C5H10N2O2/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H3,6,7)
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Ethyl 1-oxaspiro[2.5]octane-6-carboxylateCas Number: 171361-65-2 Compound CID: 45588272Formula: C10H16O3 Molecular Weight: 184.24IUPAC Name: ethyl 1-oxaspiro[2.5]octane-6-carboxylateSMILES: CCOC(=O)C1CCC2(CC1)CO2InChIKey: GQJWTOYPOHWVKC-UHFFFAOYSA-NInChI: InChI=1S/C10H16O3/c1-2-12-9(11)8-3-5-10(6-4-8)7-13-10/h8H,2-7H2,1H3
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Ethyl 1-cyanocyclohexanecarboxylateCas Number: 1130-21-8 Compound CID: 10997650Formula: C10H15NO2 Molecular Weight: 181.23IUPAC Name: ethyl 1-cyanocyclohexane-1-carboxylateSMILES: CCOC(=O)C1(CCCCC1)C#NInChIKey: ZCBMUZAFIHZTSW-UHFFFAOYSA-NInChI: InChI=1S/C10H15NO2/c1-2-13-9(12)10(8-11)6-4-3-5-7-10/h2-7H2,1H3
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But-2-yn-1-yl acetateCas Number: 34485-37-5 Compound CID: 7018870Formula: C6H8O2 Molecular Weight: 112.13IUPAC Name: but-2-ynyl acetateSMILES: CC#CCOC(=O)CInChIKey: ZSMZQEFXKCGILJ-UHFFFAOYSA-NInChI: InChI=1S/C6H8O2/c1-3-4-5-8-6(2)7/h5H2,1-2H3
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4-Iodobutyl PivalateCas Number: 82131-05-3 Compound CID: 11832941Formula: C9H17IO2 Molecular Weight: 284.13IUPAC Name: 4-iodobutyl 2,2-dimethylpropanoateSMILES: CC(C)(C)C(=O)OCCCCIInChIKey: MGIGUULSKMFMTP-UHFFFAOYSA-NInChI: InChI=1S/C9H17IO2/c1-9(2,3)8(11)12-7-5-4-6-10/h4-7H2,1-3H3
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((1，3-Dichloropropan-2-yl)oxy)methyl acetateCas Number: 89281-73-2 Compound CID: 45108266Formula: C6H10Cl2O3 Molecular Weight: 201.05IUPAC Name: 1,3-dichloropropan-2-yloxymethyl acetateSMILES: CC(=O)OCOC(CCl)CClInChIKey: HCPWSZPHLYSAAF-UHFFFAOYSA-NInChI: InChI=1S/C6H10Cl2O3/c1-5(9)10-4-11-6(2-7)3-8/h6H,2-4H2,1H3
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2-(Chloromethoxy)ethyl acetateCas Number: 40510-88-1 Compound CID: 10034810Formula: C5H9ClO3 Molecular Weight: 152.58IUPAC Name: 2-(chloromethoxy)ethyl acetateSMILES: CC(=O)OCCOCClInChIKey: PAHCSXMDRKCMGY-UHFFFAOYSA-NInChI: InChI=1S/C5H9ClO3/c1-5(7)9-3-2-8-4-6/h2-4H2,1H3
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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
