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Benzoic acids
Description:
Organic Compounds containing a benzene ring which bears at least one carboxyl group.
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2-Isopropoxybenzoic acidCas Number: 63635-26-7 Compound CID: 12357674Formula: C10H12O3 Molecular Weight: 180.21IUPAC Name: 2-propan-2-yloxybenzoic acidSMILES: CC(C)OC1=CC=CC=C1C(=O)OInChIKey: WWPLDSOFBMZGIJ-UHFFFAOYSA-NInChI: InChI=1S/C10H12O3/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3,(H,11,12) -
2-Butoxybenzoic acidCas Number: 2200-81-9 Compound CID: 14955523Formula: C11H14O3 Molecular Weight: 194.23IUPAC Name: 2-butoxybenzoic acidSMILES: CCCCOC1=CC=CC=C1C(=O)OInChIKey: UABHETFCVNRGNL-UHFFFAOYSA-NInChI: InChI=1S/C11H14O3/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)
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2-Amino-3，4-dichlorobenzoic acidCas Number: 20776-62-9 Compound CID: 4339585Formula: C7H5Cl2NO2 Molecular Weight: 206.02IUPAC Name: 2-amino-3,4-dichlorobenzoic acidSMILES: C1=CC(=C(C(=C1C(=O)O)N)Cl)ClInChIKey: LMFCCMCEVBFNHS-UHFFFAOYSA-NInChI: InChI=1S/C7H5Cl2NO2/c8-4-2-1-3(7(11)12)6(10)5(4)9/h1-2H,10H2,(H,11,12)
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(S)-4-(1-Aminoethyl)benzoic acidCas Number: 222714-33-2 Compound CID: 28286491Formula: C9H11NO2 Molecular Weight: 165.19IUPAC Name: 4-[(1S)-1-aminoethyl]benzoic acidSMILES: CC(C1=CC=C(C=C1)C(=O)O)NInChIKey: NDMBVGSUFFPAFE-LURJTMIESA-NInChI: InChI=1S/C9H11NO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6H,10H2,1H3,(H,11,12)/t6-/m0/s1
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4-[3-(Dibutylamino)Propoxy]Benzoic Acid HydrochlorideCas Number: 437651-44-0 Compound CID: 10269013Formula: C18H30ClNO3 Molecular Weight: 343.89IUPAC Name: 4-[3-(dibutylamino)propoxy]benzoic acid;hydrochlorideSMILES: CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)O.ClInChIKey: HEXBWGNCINCLCP-UHFFFAOYSA-NInChI: InChI=1S/C18H29NO3.ClH/c1-3-5-12-19(13-6-4-2)14-7-15-22-17-10-8-16(9-11-17)18(20)21;/h8-11H,3-7,12-15H2,1-2H3,(H,20,21);1H
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4-CarbamothioylbenzoicacidCas Number: 4989-36-0 Compound CID: 16772501IUPAC Name: 4-carbamothioylbenzoic acidSMILES: C1=CC(=CC=C1C(=S)N)C(=O)OInChIKey: GVEVKAIAOIRIAL-UHFFFAOYSA-NInChI: InChI=1S/C8H7NO2S/c9-7(12)5-1-3-6(4-2-5)8(10)11/h1-4H,(H2,9,12)(H,10,11)
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4-Borono-2-methylbenzoic acidCas Number: 191089-06-2 Compound CID: 53216737Formula: C8H9BO4 Molecular Weight: 179.97IUPAC Name: 4-borono-2-methylbenzoic acidSMILES: B(C1=CC(=C(C=C1)C(=O)O)C)(O)OInChIKey: JCNNWPPDDRQZJM-UHFFFAOYSA-NInChI: InChI=1S/C8H9BO4/c1-5-4-6(9(12)13)2-3-7(5)8(10)11/h2-4,12-13H,1H3,(H,10,11)
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4-(Isobutyramidomethyl)benzoic acidCas Number: 908495-37-4 Compound CID: 17148642Formula: C12H15NO3 Molecular Weight: 221.26IUPAC Name: 4-[(2-methylpropanoylamino)methyl]benzoic acidSMILES: CC(C)C(=O)NCC1=CC=C(C=C1)C(=O)OInChIKey: RMFFHXZHRXYKDW-UHFFFAOYSA-NInChI: InChI=1S/C12H15NO3/c1-8(2)11(14)13-7-9-3-5-10(6-4-9)12(15)16/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)
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4-(4-Ethylpiperazin-1-ylmethyl)benzoic acidCas Number: 895519-97-8 Compound CID: 7152675Formula: C14H20N2O2 Molecular Weight: 248.326IUPAC Name: 4-[(4-ethylpiperazin-1-yl)methyl]benzoic acidSMILES: CCN1CCN(CC1)CC2=CC=C(C=C2)C(=O)OInChIKey: FYJVYOLTWZXGHQ-UHFFFAOYSA-NInChI: InChI=1S/C14H20N2O2/c1-2-15-7-9-16(10-8-15)11-12-3-5-13(6-4-12)14(17)18/h3-6H,2,7-11H2,1H3,(H,17,18)
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4-(4-(Acryloyloxy)butoxy)benzoic acidCas Number: 69260-42-0 Compound CID: 11032735Formula: C14H16O5 Molecular Weight: 264.27IUPAC Name: 4-(4-prop-2-enoyloxybutoxy)benzoic acidSMILES: C=CC(=O)OCCCCOC1=CC=C(C=C1)C(=O)OInChIKey: ZBWYHNHRVUSVNU-UHFFFAOYSA-NInChI: InChI=1S/C14H16O5/c1-2-13(15)19-10-4-3-9-18-12-7-5-11(6-8-12)14(16)17/h2,5-8H,1,3-4,9-10H2,(H,16,17)Synonyms: 4-(4-prop-2-enoyloxybutoxy)benzoic Acid | Benzoic acid,4-[4-[(1-oxo-2-propen-1-yl)oxy]butoxy]-
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4-(2-(methoxycarbonyl)cyclopropyl)benzoic acidCas Number: 1057107-39-7 Compound CID: 59205706Formula: C12H12O4 Molecular Weight: 220.22IUPAC Name: 4-(2-methoxycarbonylcyclopropyl)benzoic acidSMILES: COC(=O)C1CC1C2=CC=C(C=C2)C(=O)OInChIKey: CNRLZWCRQCKPSD-UHFFFAOYSA-NInChI: InChI=1S/C12H12O4/c1-16-12(15)10-6-9(10)7-2-4-8(5-3-7)11(13)14/h2-5,9-10H,6H2,1H3,(H,13,14)
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4-(1H-PYRAZOL-1-YLMETHYL)BENZOICACIDCas Number: 160388-53-4 Compound CID: 6484268Formula: C11H10N2O2 Molecular Weight: 202.21IUPAC Name: 4-(pyrazol-1-ylmethyl)benzoic acidSMILES: C1=CN(N=C1)CC2=CC=C(C=C2)C(=O)OInChIKey: ZHQQRHUITAFMTC-UHFFFAOYSA-NInChI: InChI=1S/C11H10N2O2/c14-11(15)10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-7H,8H2,(H,14,15)
