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Cinnamic acids
Description:
Organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
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3-(4-Isobutylphenyl)Acrylic AcidCas Number: 66734-95-0 Compound CID: 5956024Formula: C13H16O2 Molecular Weight: 204.27IUPAC Name: (E)-3-[4-(2-methylpropyl)phenyl]prop-2-enoic acidSMILES: CC(C)CC1=CC=C(C=C1)C=CC(=O)OInChIKey: FFVQPPLMTMUAQD-BQYQJAHWSA-NInChI: InChI=1S/C13H16O2/c1-10(2)9-12-5-3-11(4-6-12)7-8-13(14)15/h3-8,10H,9H2,1-2H3,(H,14,15)/b8-7+ -
3-(2，3，6-Trifluorophenyl)acrylic acidCas Number: 230295-12-2 Compound CID: 5708776Formula: C9H5F3O2 Molecular Weight: 202.13IUPAC Name: (E)-3-(2,3,6-trifluorophenyl)prop-2-enoic acidSMILES: C1=CC(=C(C(=C1F)C=CC(=O)O)F)FInChIKey: OLYDUMMUGMYVHJ-DAFODLJHSA-NInChI: InChI=1S/C9H5F3O2/c10-6-2-3-7(11)9(12)5(6)1-4-8(13)14/h1-4H,(H,13,14)/b4-1+
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3-(2-Fluoro-4-(trifluoromethyl)phenyl)acrylic acidCas Number: 262608-88-8 Compound CID: 5709646Formula: C10H6F4O2 Molecular Weight: 234.15IUPAC Name: (E)-3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic acidSMILES: C1=CC(=C(C=C1C(F)(F)F)F)C=CC(=O)OInChIKey: HWBLGORXWYIISR-DUXPYHPUSA-NInChI: InChI=1S/C10H6F4O2/c11-8-5-7(10(12,13)14)3-1-6(8)2-4-9(15)16/h1-5H,(H,15,16)/b4-2+
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3-(4-Fluorophenyl)-2-methylacrylic acidCas Number: 22138-72-3 Compound CID: 5388694Formula: C10H9FO2 Molecular Weight: 180.18IUPAC Name: (E)-3-(4-fluorophenyl)-2-methylprop-2-enoic acidSMILES: CC(=CC1=CC=C(C=C1)F)C(=O)OInChIKey: AQQMERSMRLTKCK-VOTSOKGWSA-NInChI: InChI=1S/C10H9FO2/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)/b7-6+
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4-chloro-α-Cyanocinnamic Acid (Cl-CCA)Cas Number: 20374-46-3 Compound CID: 2363776Formula: C10H6ClNO2 Molecular Weight: 207.62IUPAC Name: (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoic acidSMILES: C1=CC(=CC=C1C=C(C#N)C(=O)O)ClInChIKey: MXCRRKYUQNHWLJ-VMPITWQZSA-NInChI: InChI=1S/C10H6ClNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+
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4-Fluoro-2-(Trifluoromethyl)CinnamicAcidCas Number: 243977-21-1 Compound CID: 5702896Formula: C10H6F4O2 Molecular Weight: 234.15IUPAC Name: (E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoic acidSMILES: C1=CC(=C(C=C1F)C(F)(F)F)C=CC(=O)OInChIKey: OREHSCSLACWBTF-DUXPYHPUSA-NInChI: InChI=1S/C10H6F4O2/c11-7-3-1-6(2-4-9(15)16)8(5-7)10(12,13)14/h1-5H,(H,15,16)/b4-2+
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4-(2-Carboxyvinyl)benzeneboronic acidCas Number: 151169-68-5Formula: C9H9BO4 Molecular Weight: 191.98IUPAC Name: (E)-3-(4-boronophenyl)prop-2-enoic acidSMILES: B(C1=CC=C(C=C1)C=CC(=O)O)(O)OInChIKey: IEMLKNHGGSYOMP-ZZXKWVIFSA-NInChI: InChI=1S/C9H9BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6,13-14H,(H,11,12)/b6-3+
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3-(4-Ethylphenyl)acrylic acidCas Number: 28784-98-7 Compound CID: 1482753Formula: C11H12O2 Molecular Weight: 176.22IUPAC Name: (E)-3-(4-ethylphenyl)prop-2-enoic acidSMILES: CCC1=CC=C(C=C1)C=CC(=O)OInChIKey: GOIIVCHICYNWSG-BQYQJAHWSA-NInChI: InChI=1S/C11H12O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-8H,2H2,1H3,(H,12,13)/b8-7+
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3-(3-Chloro-2-fluorophenyl)acrylic acidCas Number: 261762-62-3 Compound CID: 5708402Formula: C9H6ClFO2 Molecular Weight: 200.6IUPAC Name: (E)-3-(3-chloro-2-fluorophenyl)prop-2-enoic acidSMILES: C1=CC(=C(C(=C1)Cl)F)C=CC(=O)OInChIKey: OJNDJHBNODEMSG-SNAWJCMRSA-NInChI: InChI=1S/C9H6ClFO2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-5H,(H,12,13)/b5-4+
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3-(3-Fluoro-4-methylphenyl)acrylic acidCas Number: 261951-72-8 Compound CID: 5708478Formula: C10H9FO2 Molecular Weight: 180.18IUPAC Name: (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoic acidSMILES: CC1=C(C=C(C=C1)C=CC(=O)O)FInChIKey: DVZABKDWMCAVGE-SNAWJCMRSA-NInChI: InChI=1S/C10H9FO2/c1-7-2-3-8(6-9(7)11)4-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-4+
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3-(2，3，4-Trifluorophenyl)acrylic acidCas Number: 207742-85-6 Compound CID: 5708774Formula: C9H5F3O2 Molecular Weight: 202.13IUPAC Name: (E)-3-(2,3,4-trifluorophenyl)prop-2-enoic acidSMILES: C1=CC(=C(C(=C1C=CC(=O)O)F)F)FInChIKey: AYDLBRHSHLRVAH-DUXPYHPUSA-NInChI: InChI=1S/C9H5F3O2/c10-6-3-1-5(2-4-7(13)14)8(11)9(6)12/h1-4H,(H,13,14)/b4-2+
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3-(2，3-Dihydrobenzofuran-5-yl)-2-propenoicacidCas Number: 198707-57-2 Compound CID: 5706572Formula: C11H10O3 Molecular Weight: 190.2IUPAC Name: (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoic acidSMILES: C1COC2=C1C=C(C=C2)C=CC(=O)OInChIKey: KNKNRFWCOVWKHJ-DUXPYHPUSA-NInChI: InChI=1S/C11H10O3/c12-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1-4,7H,5-6H2,(H,12,13)/b4-2+
