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Coumarins and derivatives
Description:
Polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
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6，8-Dichloro-2-oxo-2H-chromene-3-carboxylic acidCas Number: 2199-86-2 Compound CID: 657910Formula: C10H4Cl2O4 Molecular Weight: 259.05IUPAC Name: 6,8-dichloro-2-oxochromene-3-carboxylic acidSMILES: C1=C2C=C(C(=O)OC2=C(C=C1Cl)Cl)C(=O)OInChIKey: WJEHZKIVHXRVSR-UHFFFAOYSA-NInChI: InChI=1S/C10H4Cl2O4/c11-5-1-4-2-6(9(13)14)10(15)16-8(4)7(12)3-5/h1-3H,(H,13,14) -
6-Chloro-2H-chromen-2-oneCas Number: 2051-59-4 Compound CID: 16321Formula: C9H5ClO2 Molecular Weight: 180.59IUPAC Name: 6-chlorochromen-2-oneSMILES: C1=CC2=C(C=CC(=O)O2)C=C1ClInChIKey: AMQSYJCKXPUEDR-UHFFFAOYSA-NInChI: InChI=1S/C9H5ClO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H
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5，6，7，8-TetramethoxycoumarinCas Number: 56317-15-8 Compound CID: 151319IUPAC Name: 5,6,7,8-tetramethoxychromen-2-oneSMILES: COC1=C(C(=C(C2=C1C=CC(=O)O2)OC)OC)OCInChIKey: FEGDYUCKOYJQOZ-UHFFFAOYSA-NInChI: InChI=1S/C13H14O6/c1-15-9-7-5-6-8(14)19-10(7)12(17-3)13(18-4)11(9)16-2/h5-6H,1-4H3
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5，6，7-TrimethoxycoumarinCas Number: 55085-47-7 Compound CID: 148724IUPAC Name: 5,6,7-trimethoxychromen-2-oneSMILES: COC1=C(C(=C2C=CC(=O)OC2=C1)OC)OCInChIKey: FOBNRKTURPWTQX-UHFFFAOYSA-NInChI: InChI=1S/C12H12O5/c1-14-9-6-8-7(4-5-10(13)17-8)11(15-2)12(9)16-3/h4-6H,1-3H3
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4，7-Dimethyl-2H-chromen-2-oneCas Number: 14002-90-5 Compound CID: 318539IUPAC Name: 4,7-dimethylchromen-2-oneSMILES: CC1=CC2=C(C=C1)C(=CC(=O)O2)CInChIKey: MUMAHEBVYSIROC-UHFFFAOYSA-NInChI: InChI=1S/C11H10O2/c1-7-3-4-9-8(2)6-11(12)13-10(9)5-7/h3-6H,1-2H3
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5,7-Dimethoxy-4-methyl-2H-chromen-2-oneCas Number: 6093-80-7 Compound CID: 390799Formula: C12H12O4 Molecular Weight: 220.22IUPAC Name: 5,7-dimethoxy-4-methylchromen-2-oneSMILES: CC1=CC(=O)OC2=C1C(=CC(=C2)OC)OCInChIKey: WFSKVHPOKPQJSU-UHFFFAOYSA-NInChI: InChI=1S/C12H12O4/c1-7-4-11(13)16-10-6-8(14-2)5-9(15-3)12(7)10/h4-6H,1-3H3Synonyms: 4-Methyl-5,7-dimethoxycoumarin
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4-Bromo-2H-chromen-2-oneCas Number: 938-40-9 Compound CID: 2172636Formula: C9H5BrO2 Molecular Weight: 225.04IUPAC Name: 4-bromochromen-2-oneSMILES: C1=CC=C2C(=C1)C(=CC(=O)O2)BrInChIKey: CSMSWYXPXRIHBY-UHFFFAOYSA-NInChI: InChI=1S/C9H5BrO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H
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3-hydroxy-4-methyl-6H-benzo[c]chromen-6-oneCas Number: 76244-77-4 Compound CID: 5348729Formula: C14H10O3 Molecular Weight: 226.23IUPAC Name: 3-hydroxy-4-methylbenzo[c]chromen-6-oneSMILES: CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OInChIKey: LAVHXGNOROFSCU-UHFFFAOYSA-NInChI: InChI=1S/C14H10O3/c1-8-12(15)7-6-10-9-4-2-3-5-11(9)14(16)17-13(8)10/h2-7,15H,1H3
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3-CPsCas Number: 20073-24-9 Compound CID: 62739Formula: C14H10O5 Molecular Weight: 258.23IUPAC Name: ethyl 7-oxofuro[3,2-g]chromene-6-carboxylateSMILES: CCOC(=O)C1=CC2=C(C=C3C(=C2)C=CO3)OC1=OInChIKey: CFQAMEDTKHNQTP-UHFFFAOYSA-NInChI: InChI=1S/C14H10O5/c1-2-17-13(15)10-6-9-5-8-3-4-18-11(8)7-12(9)19-14(10)16/h3-7H,2H2,1H3
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3-Bromo-2H-chromen-2-oneCas Number: 939-18-4 Compound CID: 970704Formula: C9H5BrO2 Molecular Weight: 225.041IUPAC Name: 3-bromochromen-2-oneSMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)BrInChIKey: DZCTYFCCOGXULA-UHFFFAOYSA-NInChI: InChI=1S/C9H5BrO2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
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11-Oxo-2，3，6，7-tetrahydro-1H，5H，11H-pyrano[2，3-f]pyrido[3，2，1-ij]quinoline-10-carbaldehydeCas Number: 142730-52-7 Compound CID: 809813IUPAC Name: 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbaldehydeSMILES: C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C=O)CCCN3C1InChIKey: ZRIWXONEOQIGDI-UHFFFAOYSA-NInChI: InChI=1S/C16H15NO3/c18-9-12-8-11-7-10-3-1-5-17-6-2-4-13(14(10)17)15(11)20-16(12)19/h7-9H,1-6H2
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2-((6-Methyl-4-oxo-1，2，3，4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetic acidCas Number: 314743-72-1 Compound CID: 2789358Formula: C15H14O5 Molecular Weight: 274.28IUPAC Name: 2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetic acidSMILES: CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)OInChIKey: HKXCRPJJBYNWHW-UHFFFAOYSA-NInChI: InChI=1S/C15H14O5/c1-8-12(19-7-13(16)17)6-5-10-9-3-2-4-11(9)15(18)20-14(8)10/h5-6H,2-4,7H2,1H3,(H,16,17)
