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Benzoic acids
Description:
Organic Compounds containing a benzene ring which bears at least one carboxyl group.
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4-Phenethoxybenzoic acidCas Number: 30762-06-2 Compound CID: 283540Formula: C15H14O3 Molecular Weight: 242.28IUPAC Name: 4-(2-phenylethoxy)benzoic acidSMILES: C1=CC=C(C=C1)CCOC2=CC=C(C=C2)C(=O)OInChIKey: FRQLEOHJRISXFC-UHFFFAOYSA-NInChI: InChI=1S/C15H14O3/c16-15(17)13-6-8-14(9-7-13)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,17) -
4-Formyl-3-methylbenzoicacidCas Number: 24078-23-7 Compound CID: 18959543Formula: C9H8O3 Molecular Weight: 164.16IUPAC Name: 4-formyl-3-methylbenzoic acidSMILES: CC1=C(C=CC(=C1)C(=O)O)C=OInChIKey: BYZMBPUNGJVBBA-UHFFFAOYSA-NInChI: InChI=1S/C9H8O3/c1-6-4-7(9(11)12)2-3-8(6)5-10/h2-5H,1H3,(H,11,12)
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4-Benzyloxy-3，5-dimethylbenzoic acidCas Number: 97888-80-7 Compound CID: 2733993Formula: C16H16O3 Molecular Weight: 256.3IUPAC Name: 3,5-dimethyl-4-phenylmethoxybenzoic acidSMILES: CC1=CC(=CC(=C1OCC2=CC=CC=C2)C)C(=O)OInChIKey: JABUPJCJZZNUFK-UHFFFAOYSA-NInChI: InChI=1S/C16H16O3/c1-11-8-14(16(17)18)9-12(2)15(11)19-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18)
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4-(Trimethylsilyl)benzoic acidCas Number: 15290-29-6 Compound CID: 280169Formula: C10H14O2Si Molecular Weight: 194.3IUPAC Name: 4-trimethylsilylbenzoic acidSMILES: C[Si](C)(C)C1=CC=C(C=C1)C(=O)OInChIKey: GKAWVRLBRQRXAG-UHFFFAOYSA-NInChI: InChI=1S/C10H14O2Si/c1-13(2,3)9-6-4-8(5-7-9)10(11)12/h4-7H,1-3H3,(H,11,12)
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4-(Thiophen-3-yl)benzoic acidCas Number: 29886-64-4 Compound CID: 736862Formula: C11H8O2S Molecular Weight: 204.25IUPAC Name: 4-thiophen-3-ylbenzoic acidSMILES: C1=CC(=CC=C1C2=CSC=C2)C(=O)OInChIKey: FISAUHGRILVMDP-UHFFFAOYSA-NInChI: InChI=1S/C11H8O2S/c12-11(13)9-3-1-8(2-4-9)10-5-6-14-7-10/h1-7H,(H,12,13)
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4-(Pyrrolidin-1-Ylmethyl)Benzoic AcidCas Number: 159691-25-5 Compound CID: 1092976Formula: C12H16ClNO2 Molecular Weight: 241.72IUPAC Name: 4-(pyrrolidin-1-ylmethyl)benzoic acidSMILES: C1CCN(C1)CC2=CC=C(C=C2)C(=O)OInChIKey: DOEIPZUTRVMWAB-UHFFFAOYSA-NInChI: InChI=1S/C12H15NO2/c14-12(15)11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6H,1-2,7-9H2,(H,14,15)
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4-(2-Hydroxyhexafluoroisopropyl)Benzoic AcidCas Number: 16261-80-6 Compound CID: 591169Formula: C10H6O3F6 Molecular Weight: 288.14IUPAC Name: 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzoic acidSMILES: C1=CC(=CC=C1C(=O)O)C(C(F)(F)F)(C(F)(F)F)OInChIKey: DLJNNINHDYILFL-UHFFFAOYSA-NInChI: InChI=1S/C10H6F6O3/c11-9(12,13)8(19,10(14,15)16)6-3-1-5(2-4-6)7(17)18/h1-4,19H,(H,17,18)
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4-(2-Amino-4-thiazolyl)benzoic AcidCas Number: 216959-94-3 Compound CID: 613179Formula: C10H8N2O2S Molecular Weight: 220.25IUPAC Name: 4-(2-amino-1,3-thiazol-4-yl)benzoic acidSMILES: C1=CC(=CC=C1C2=CSC(=N2)N)C(=O)OInChIKey: DGZPYJBDYGAEBE-UHFFFAOYSA-NInChI: InChI=1S/C10H8N2O2S/c11-10-12-8(5-15-10)6-1-3-7(4-2-6)9(13)14/h1-5H,(H2,11,12)(H,13,14)
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3，5-Dichloro-2，4，6-trifluorobenzoic acidCas Number: 13656-36-5 Compound CID: 2782513Formula: C7HO2F3Cl2 Molecular Weight: 244.98IUPAC Name: 3,5-dichloro-2,4,6-trifluorobenzoic acidSMILES: C1(=C(C(=C(C(=C1F)Cl)F)Cl)F)C(=O)OInChIKey: WOGODDMTAFMNSE-UHFFFAOYSA-NInChI: InChI=1S/C7HCl2F3O2/c8-2-4(10)1(7(13)14)5(11)3(9)6(2)12/h(H,13,14)
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3，5-Bis(aminomethyl)benzoic acid dihydrochlorideCas Number: 185963-32-0 Compound CID: 86280425Formula: C9H14Cl2N2O2 Molecular Weight: 253.12IUPAC Name: 3,5-bis(aminomethyl)benzoic acid;dihydrochlorideSMILES: C1=C(C=C(C=C1CN)C(=O)O)CN.Cl.ClInChIKey: BKJBHQXEYLPXTQ-UHFFFAOYSA-NInChI: InChI=1S/C9H12N2O2.2ClH/c10-4-6-1-7(5-11)3-8(2-6)9(12)13;;/h1-3H,4-5,10-11H2,(H,12,13);2*1H
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3，5-DIETHYLBENZOIC ACIDCas Number: 3854-90-8 Compound CID: 138064Formula: C11H14O2 Molecular Weight: 178.231IUPAC Name: 3,5-diethylbenzoic acidSMILES: CCC1=CC(=CC(=C1)C(=O)O)CCInChIKey: MSWNGSGXXVLVPG-UHFFFAOYSA-NInChI: InChI=1S/C11H14O2/c1-3-8-5-9(4-2)7-10(6-8)11(12)13/h5-7H,3-4H2,1-2H3,(H,12,13)
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3，4，5-Trimethylbenzoic acidCas Number: 1076-88-6 Compound CID: 136849Formula: C10H12O2 Molecular Weight: 164.2IUPAC Name: 3,4,5-trimethylbenzoic acidSMILES: CC1=CC(=CC(=C1C)C)C(=O)OInChIKey: OWBVULKHVZHYPN-UHFFFAOYSA-NInChI: InChI=1S/C10H12O2/c1-6-4-9(10(11)12)5-7(2)8(6)3/h4-5H,1-3H3,(H,11,12)
