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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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hexyl cyanoacetateCas Number: 13361-53-0 Compound CID: 25920Formula: C9H15NO2 Molecular Weight: 169.22IUPAC Name: hexyl 2-cyanoacetateSMILES: CCCCCCOC(=O)CC#NInChIKey: PWKKBTPSCGLYBR-UHFFFAOYSA-NInChI: InChI=1S/C9H15NO2/c1-2-3-4-5-8-12-9(11)6-7-10/h2-6,8H2,1H3 -
ethyl 2-bromoacrylateCas Number: 5459-35-8 Compound CID: 229991Formula: C5H7O2Br Molecular Weight: 179.01IUPAC Name: ethyl 2-bromoprop-2-enoateSMILES: CCOC(=O)C(=C)BrInChIKey: UCDOJQCUOURTPS-UHFFFAOYSA-NInChI: InChI=1S/C5H7BrO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3
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ethyl 2-cyclopentylideneacetateCas Number: 1903-22-6 Compound CID: 74699Formula: C9H14O2 Molecular Weight: 154.21IUPAC Name: ethyl 2-cyclopentylideneacetateSMILES: CCOC(=O)C=C1CCCC1InChIKey: TXXWSOKUXUMWRZ-UHFFFAOYSA-NInChI: InChI=1S/C9H14O2/c1-2-11-9(10)7-8-5-3-4-6-8/h7H,2-6H2,1H3
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Tert-Butyl PivalateCas Number: 16474-43-4 Compound CID: 519272Formula: C9H18O2 Molecular Weight: 158.24IUPAC Name: tert-butyl 2,2-dimethylpropanoateSMILES: CC(C)(C)C(=O)OC(C)(C)CInChIKey: VXHFNALHLRWIIU-UHFFFAOYSA-NInChI: InChI=1S/C9H18O2/c1-8(2,3)7(10)11-9(4,5)6/h1-6H3
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Isopropyl methoxyacetateCas Number: 17640-21-0 Compound CID: 542192Formula: C6H12O3 Molecular Weight: 132.16IUPAC Name: propan-2-yl 2-methoxyacetateSMILES: CC(C)OC(=O)COCInChIKey: XYXFJNIUUWEUIJ-UHFFFAOYSA-NInChI: InChI=1S/C6H12O3/c1-5(2)9-6(7)4-8-3/h5H,4H2,1-3H3Synonyms: propan-2-yl 2-methoxyacetate | 1-Methylethyl 2-methoxyacetate
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3-Oxobutyl acetateCas Number: 10150-87-5 Compound CID: 139100Formula: C6H10O3 Molecular Weight: 130.14IUPAC Name: 3-oxobutyl acetateSMILES: CC(=O)CCOC(=O)CInChIKey: NWCYECXHIYEBJE-UHFFFAOYSA-NInChI: InChI=1S/C6H10O3/c1-5(7)3-4-9-6(2)8/h3-4H2,1-2H3
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3-Chloropropionic Acid Methyl EsterCas Number: 6001-87-2 Compound CID: 22321Formula: 4H7ClO2IUPAC Name: methyl 3-chloropropanoateSMILES: COC(=O)CCClInChIKey: GZGJIACHBCQSPC-UHFFFAOYSA-NInChI: InChI=1S/C4H7ClO2/c1-7-4(6)2-3-5/h2-3H2,1H3
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2-hydroxyethyl formateCas Number: 628-35-3Formula: C3H6O3 Molecular Weight: 90.08IUPAC Name: 2-hydroxyethyl formateSMILES: C(COC=O)OInChIKey: UKQJDWBNQNAJHB-UHFFFAOYSA-NInChI: InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2Synonyms: 1,2-ethanediol monoformate | ethylene glycol monoformate
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2-Pentyl AcetateCas Number: 626-38-0 Compound CID: 12278Formula: C7H14O2 Molecular Weight: 130.18IUPAC Name: pentan-2-yl acetateSMILES: CCCC(C)OC(=O)CInChIKey: GQKZRWSUJHVIPE-UHFFFAOYSA-NInChI: InChI=1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3
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2-MethylbutylIsobutyrateCas Number: 2445-69-4 Compound CID: 97883Formula: C9H18O2 Molecular Weight: 158.24IUPAC Name: 2-methylbutyl 2-methylpropanoateSMILES: CCC(C)COC(=O)C(C)CInChIKey: DUAXUBMIVRZGCO-UHFFFAOYSA-NInChI: InChI=1S/C9H18O2/c1-5-8(4)6-11-9(10)7(2)3/h7-8H,5-6H2,1-4H3
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2-Hydroxypropyl methacrylateCas Number: 923-26-2Formula: C7H12O3 Molecular Weight: 144.17IUPAC Name: 2-hydroxypropyl 2-methylprop-2-enoateSMILES: CC(COC(=O)C(=C)C)OInChIKey: VHSHLMUCYSAUQU-UHFFFAOYSA-NInChI: InChI=1S/C7H12O3/c1-5(2)7(9)10-4-6(3)8/h6,8H,1,4H2,2-3H3
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2-Chloroethoxy ethyl acetateCas Number: 14258-40-3 Compound CID: 251808Formula: 6H11ClO3IUPAC Name: 2-(2-chloroethoxy)ethyl acetateSMILES: CC(=O)OCCOCCClInChIKey: ZUZWLUYOVJTJAG-UHFFFAOYSA-NInChI: InChI=1S/C6H11ClO3/c1-6(8)10-5-4-9-3-2-7/h2-5H2,1H3
