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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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tert-butyl (2S)-2-hydroxypropanoateCas Number: 13650-70-9 Compound CID: 12943846Formula: C7H14O3 Molecular Weight: 146.18IUPAC Name: tert-butyl (2S)-2-hydroxypropanoateSMILES: CC(C(=O)OC(C)(C)C)OInChIKey: IXXMVXXFAJGOQO-YFKPBYRVSA-NInChI: InChI=1S/C7H14O3/c1-5(8)6(9)10-7(2,3)4/h5,8H,1-4H3/t5-/m0/s1 -
methyl bicyclo[2.1.1]hexane-1-carboxylateCas Number: 141046-53-9 Compound CID: 45089907Formula: C8H12O2 Molecular Weight: 140.18SMILES: COC(=O)C12CCC(C1)C2InChIKey: AIHAUSAMSFJGOH-UHFFFAOYSA-NInChI: InChI=1S/C8H12O2/c1-10-7(9)8-3-2-6(4-8)5-8/h6H,2-5H2,1H3 -
methyl 6,6-difluorospiro[3.3]heptane-2-carboxylateCas Number: 1419101-40-8 Compound CID: 72207686Formula: C9H12F2O2 Molecular Weight: 190.19SMILES: COC(=O)C1CC2(C1)CC(C2)(F)FInChIKey: NMHRSPYFJMDXJG-UHFFFAOYSA-NInChI: InChI=1S/C9H12F2O2/c1-13-7(12)6-2-8(3-6)4-9(10,11)5-8/h6H,2-5H2,1H3 -
methyl 5-bromobicyclo[3.1.1]heptane-1-carboxylateCas Number: 91239-76-8 Compound CID: 14044595Formula: C9H13BrO2 Molecular Weight: 233.1SMILES: COC(=O)C12CCCC(C1)(C2)BrInChIKey: ZPZYODAUWUVDNI-UHFFFAOYSA-NInChI: InChI=1S/C9H13BrO2/c1-12-7(11)8-3-2-4-9(10,5-8)6-8/h2-6H2,1H3 -
methyl 3-(2-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylateCas Number: 1113001-65-2 Compound CID: 122235366Formula: C9H14O3 Molecular Weight: 170.21IUPAC Name: methyl 3-(2-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylateSMILES: COC(=O)C12CC(C1)(C2)CCOInChIKey: KXKXBPHTIRVECF-UHFFFAOYSA-NInChI: InChI=1S/C9H14O3/c1-12-7(11)9-4-8(5-9,6-9)2-3-10/h10H,2-6H2,1H3
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methyl 2-cyclobutylideneacetateCas Number: 143140-39-0 Compound CID: 45480504Formula: C7H10O2 Molecular Weight: 126.15SMILES: COC(=O)C=C1CCC1InChIKey: AXSGAQISQQNVKB-UHFFFAOYSA-NInChI: InChI=1S/C7H10O2/c1-9-7(8)5-6-3-2-4-6/h5H,2-4H2,1H3
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ethyl trans-4-formylcyclohexanecarboxylateCas Number: 104802-53-1 Compound CID: 13548164Formula: C10H16O3 Molecular Weight: 184.23IUPAC Name: ethyl 4-formylcyclohexane-1-carboxylateSMILES: CCOC(=O)C1CCC(CC1)C=OInChIKey: PRZDWMBBAYQZOR-UHFFFAOYSA-NInChI: InChI=1S/C10H16O3/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h7-9H,2-6H2,1H3
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methyl (1S,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylateCas Number: 528560-24-9 Compound CID: 44631749Formula: C9H16O3 Molecular Weight: 172.22SMILES: CC1([C@@H](C[C@@H]1C(=O)OC)CO)CInChIKey: HGNLPBSEBMGOKI-NKWVEPMBSA-NInChI: InChI=1S/C9H16O3/c1-9(2)6(5-10)4-7(9)8(11)12-3/h6-7,10H,4-5H2,1-3H3/t6-,7+/m0/s1
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methyl (1R,3S)-3-hydroxy-2,2-dimethyl-cyclobutanecarboxylateCas Number: 1931999-55-1 Compound CID: 72207732Formula: C8H14O3 Molecular Weight: 158.19SMILES: CC1([C@@H](C[C@@H]1O)C(=O)OC)CInChIKey: CXBVPPWGWUOBMX-WDSKDSINSA-NInChI: InChI=1S/C8H14O3/c1-8(2)5(4-6(8)9)7(10)11-3/h5-6,9H,4H2,1-3H3/t5-,6-/m0/s1
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Isopropyl 3-oxocyclobutane-1-carboxylateCas Number: 130111-95-4 Compound CID: 71473312Formula: C8H12O3 Molecular Weight: 156.18SMILES: CC(C)OC(=O)C1CC(=O)C1InChIKey: NMFKKFJNWCNMES-UHFFFAOYSA-NInChI: InChI=1S/C8H12O3/c1-5(2)11-8(10)6-3-7(9)4-6/h5-6H,3-4H2,1-2H3Synonyms: Propan-2-yl-oxocyclobutane carboxylate | propan-2-yl 3-oxocyclobutane-1-carboxylate
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ethyl 2-cyano-2-cyclopropylacetateCas Number: 42392-67-6 Compound CID: 10606956Formula: C8H11NO2 Molecular Weight: 153.18SMILES: CCOC(=O)C(C#N)C1CC1InChIKey: FVJQEKBSGPOPLO-UHFFFAOYSA-NInChI: InChI=1S/C8H11NO2/c1-2-11-8(10)7(5-9)6-3-4-6/h6-7H,2-4H2,1H3
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methyl trans-4-(bromomethyl)cyclohexanecarboxylateCas Number: 167833-10-5 Compound CID: 19688454Formula: C9H15BrO2 Molecular Weight: 235.12IUPAC Name: methyl 4-(bromomethyl)cyclohexane-1-carboxylateSMILES: COC(=O)C1CCC(CC1)CBrInChIKey: BXJXDCCSZTVLTR-UHFFFAOYSA-NInChI: InChI=1S/C9H15BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h7-8H,2-6H2,1H3
