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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-(2-Hydroxyethoxy)benzoic acidCas Number: 1711-24-6 Compound CID: 4312254Formula: C9H10O4 Molecular Weight: 182.18IUPAC Name: 4-(2-hydroxyethoxy)benzoic acidSMILES: C1=CC(=CC=C1C(=O)O)OCCOInChIKey: QLIQIXIBZLTPGQ-UHFFFAOYSA-NInChI: InChI=1S/C9H10O4/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2,(H,11,12) -
3-(Morpholinomethyl)benzoic AcidCas Number: 67451-81-4 Compound CID: 7152692Formula: C12H15NO3 Molecular Weight: 221.26IUPAC Name: 3-(morpholin-4-ylmethyl)benzoic acidSMILES: C1COCCN1CC2=CC(=CC=C2)C(=O)OInChIKey: LZLRLAYVCUNAEX-UHFFFAOYSA-NInChI: InChI=1S/C12H15NO3/c14-12(15)11-3-1-2-10(8-11)9-13-4-6-16-7-5-13/h1-3,8H,4-7,9H2,(H,14,15) -
3-(Pyridin-3-ylmethoxy)benzoic acidCas Number: 945473-82-5 Compound CID: 16784114Formula: C13H11NO3 Molecular Weight: 229.23IUPAC Name: 3-(pyridin-3-ylmethoxy)benzoic acidSMILES: C1=CC(=CC(=C1)OCC2=CN=CC=C2)C(=O)OInChIKey: MOEOUPZPWRMGFV-UHFFFAOYSA-NInChI: InChI=1S/C13H11NO3/c15-13(16)11-4-1-5-12(7-11)17-9-10-3-2-6-14-8-10/h1-8H,9H2,(H,15,16)
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3-(cyclohexyloxy)benzoicacidCas Number: 158861-00-8 Compound CID: 15225607IUPAC Name: 3-cyclohexyloxybenzoic acidSMILES: C1CCC(CC1)OC2=CC=CC(=C2)C(=O)OInChIKey: SEYKRNISPOBNMJ-UHFFFAOYSA-NInChI: InChI=1S/C13H16O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H,14,15)
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3-(1-Pyrrolidylmethyl)benzoic Acid HydrochlorideCas Number: 887922-93-2 Compound CID: 18525874Formula: C12H16ClNO2 Molecular Weight: 241.71IUPAC Name: 3-(pyrrolidin-1-ylmethyl)benzoic acid;hydrochlorideSMILES: C1CCN(C1)CC2=CC(=CC=C2)C(=O)O.ClInChIKey: BORITTZEFSYNFT-UHFFFAOYSA-NInChI: InChI=1S/C12H15NO2.ClH/c14-12(15)11-5-3-4-10(8-11)9-13-6-1-2-7-13;/h3-5,8H,1-2,6-7,9H2,(H,14,15);1H
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3-((1H-1，2，4-Triazol-1-yl)methyl)benzoic acidCas Number: 857284-23-2 Compound CID: 3159713Formula: C10H9N3O2 Molecular Weight: 203.2IUPAC Name: 3-(1,2,4-triazol-1-ylmethyl)benzoic acidSMILES: C1=CC(=CC(=C1)C(=O)O)CN2C=NC=N2InChIKey: XIJPFLBFQZEFKY-UHFFFAOYSA-NInChI: InChI=1S/C10H9N3O2/c14-10(15)9-3-1-2-8(4-9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H,14,15)
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3-((Dimethylamino)methyl)benzoic acidCas Number: 155412-73-0Formula: C10H13NO2 Molecular Weight: 179.22IUPAC Name: 3-[(dimethylamino)methyl]benzoic acidSMILES: CN(C)CC1=CC(=CC=C1)C(=O)OInChIKey: JOHOBHQNCZAHOU-UHFFFAOYSA-NInChI: InChI=1S/C10H13NO2/c1-11(2)7-8-4-3-5-9(6-8)10(12)13/h3-6H,7H2,1-2H3,(H,12,13)
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3-(1-((tert-Butoxycarbonyl)amino)ethyl)benzoic acidCas Number: 165949-84-8 Compound CID: 22327039Formula: C14H19NO4 Molecular Weight: 265.3IUPAC Name: 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acidSMILES: CC(C1=CC(=CC=C1)C(=O)O)NC(=O)OC(C)(C)CInChIKey: JWYITCUSPYOBSX-UHFFFAOYSA-NInChI: InChI=1S/C14H19NO4/c1-9(15-13(18)19-14(2,3)4)10-6-5-7-11(8-10)12(16)17/h5-9H,1-4H3,(H,15,18)(H,16,17)
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3-(1-Hydroxyethyl)benzoic acidCas Number: 283608-37-7 Compound CID: 11564526Formula: C9H10O3 Molecular Weight: 166.17IUPAC Name: 3-(1-hydroxyethyl)benzoic acidSMILES: CC(C1=CC(=CC=C1)C(=O)O)OInChIKey: YKTWYBWPBDPIQI-UHFFFAOYSA-NInChI: InChI=1S/C9H10O3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-6,10H,1H3,(H,11,12)
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2，4-Dichloro-3-methylbenzoic acidCas Number: 83277-23-0 Compound CID: 13235951Formula: C8H6Cl2O2 Molecular Weight: 205.03IUPAC Name: 2,4-dichloro-3-methylbenzoic acidSMILES: CC1=C(C=CC(=C1Cl)C(=O)O)ClInChIKey: KYAATGSGTLPBHN-UHFFFAOYSA-NInChI: InChI=1S/C8H6Cl2O2/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
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2， 3-Dichloro-6-fluorobenzoic acidCas Number: 32890-91-8 Compound CID: 3864553Formula: C7H3Cl2FO2 Molecular Weight: 209IUPAC Name: 2,3-dichloro-6-fluorobenzoic acidSMILES: C1=CC(=C(C(=C1F)C(=O)O)Cl)ClInChIKey: OOQKLNYJVMPYIF-UHFFFAOYSA-NInChI: InChI=1S/C7H3Cl2FO2/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2H,(H,11,12)
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2-[(3-Bromophenyl)methoxy]-Benzoic acidCas Number: 743453-43-2 Compound CID: 3302765Formula: C14H11BrO3 Molecular Weight: 307.15IUPAC Name: 2-[(3-bromophenyl)methoxy]benzoic acidSMILES: C1=CC=C(C(=C1)C(=O)O)OCC2=CC(=CC=C2)BrInChIKey: XXEHDADBNHDAIB-UHFFFAOYSA-NInChI: InChI=1S/C14H11BrO3/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8H,9H2,(H,16,17)
