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Cinnamic acids and derivatives
Description:
Organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
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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+ -
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+
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2，3，5-Trifluorocinnamic acidCas Number: 237761-79-4 Compound CID: 5708775Formula: C9H5F3O2 Molecular Weight: 202.13IUPAC Name: (E)-3-(2,3,5-trifluorophenyl)prop-2-enoic acidSMILES: C1=C(C=C(C(=C1C=CC(=O)O)F)F)FInChIKey: FHDPERUKPYYNEO-OWOJBTEDSA-NInChI: InChI=1S/C9H5F3O2/c10-6-3-5(1-2-8(13)14)9(12)7(11)4-6/h1-4H,(H,13,14)/b2-1+
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2-Carboxycinnamic acidCas Number: 612-40-8 Compound CID: 904938Formula: C10H8O4 Molecular Weight: 192.17IUPAC Name: 2-[(E)-2-carboxyethenyl]benzoic acidSMILES: C1=CC=C(C(=C1)C=CC(=O)O)C(=O)OInChIKey: SCWPNMHQRGNQHH-AATRIKPKSA-NInChI: InChI=1S/C10H8O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)(H,13,14)/b6-5+
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1，1，1-Trifluoro-4-phenylbut-3-en-2-oneCas Number: 86571-25-7 Compound CID: 6006052Formula: C10H7F3O Molecular Weight: 200.16IUPAC Name: (E)-1,1,1-trifluoro-4-phenylbut-3-en-2-oneSMILES: C1=CC=C(C=C1)C=CC(=O)C(F)(F)FInChIKey: ADEYYFREIBSWFP-VOTSOKGWSA-NInChI: InChI=1S/C10H7F3O/c11-10(12,13)9(14)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
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1，1，1-Trifluoro-6-phenylhex-5-ene-2，4-dioneCas Number: 18931-64-1 Compound CID: 5340907Formula: C12H9F3O2 Molecular Weight: 242.2IUPAC Name: (E)-1,1,1-trifluoro-6-phenylhex-5-ene-2,4-dioneSMILES: C1=CC=C(C=C1)C=CC(=O)CC(=O)C(F)(F)FInChIKey: CSOPVKUECMSWBR-VOTSOKGWSA-NInChI: InChI=1S/C12H9F3O2/c13-12(14,15)11(17)8-10(16)7-6-9-4-2-1-3-5-9/h1-7H,8H2/b7-6+
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1-CinnamoylpyrrolidineCas Number: 52438-21-8 Compound CID: 765514Formula: C13H15NO Molecular Weight: 201.26IUPAC Name: (E)-3-phenyl-1-pyrrolidin-1-ylprop-2-en-1-oneSMILES: C1CCN(C1)C(=O)C=CC2=CC=CC=C2InChIKey: JSIGICUAXLIURX-CMDGGOBGSA-NInChI: InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2/b9-8+
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(E)-Ethyl 3-(2-nitrophenyl)acrylateCas Number: 24393-59-7 Compound CID: 5355496Formula: C11H11NO4 Molecular Weight: 221.21IUPAC Name: ethyl (E)-3-(2-nitrophenyl)prop-2-enoateSMILES: CCOC(=O)C=CC1=CC=CC=C1[N+](=O)[O-]InChIKey: TYYXOWPEFVCPDV-BQYQJAHWSA-NInChI: InChI=1S/C11H11NO4/c1-2-16-11(13)8-7-9-5-3-4-6-10(9)12(14)15/h3-8H,2H2,1H3/b8-7+
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(E)-Ethyl 3-(4-chlorophenyl)acrylateCas Number: 24393-52-0 Compound CID: 5373977Formula: C11H11ClO2 Molecular Weight: 210.66IUPAC Name: ethyl (E)-3-(4-chlorophenyl)prop-2-enoateSMILES: CCOC(=O)C=CC1=CC=C(C=C1)ClInChIKey: MHZFMMSRIDAQIB-VMPITWQZSA-NInChI: InChI=1S/C11H11ClO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2H2,1H3/b8-5+
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(E)-4-(4-Hydroxyphenyl)but-3-en-2-oneCas Number: 22214-30-8Formula: C10H10O2 Molecular Weight: 162.18IUPAC Name: (E)-4-(4-hydroxyphenyl)but-3-en-2-oneSMILES: CC(=O)C=CC1=CC=C(C=C1)OInChIKey: OCNIKEFATSKIBE-NSCUHMNNSA-NInChI: InChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+
