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Benzoic acids
Description:
Organic Compounds containing a benzene ring which bears at least one carboxyl group.
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3-(2-Propenyl)benzoic acidCas Number: 1077-07-2 Compound CID: 23422987Formula: C10H10O2 Molecular Weight: 162.19IUPAC Name: 3-prop-2-enylbenzoic acidSMILES: C=CCC1=CC(=CC=C1)C(=O)OInChIKey: NJACFYHMOFEZDU-UHFFFAOYSA-NInChI: InChI=1S/C10H10O2/c1-2-4-8-5-3-6-9(7-8)10(11)12/h2-3,5-7H,1,4H2,(H,11,12) -
3-(2-Methoxyethoxy)benzoic acidCas Number: 152808-60-1 Compound CID: 22397422Formula: C10H12O4 Molecular Weight: 196.2IUPAC Name: 3-(2-methoxyethoxy)benzoic acidSMILES: COCCOC1=CC=CC(=C1)C(=O)OInChIKey: ZDBKQHIFUZABMJ-UHFFFAOYSA-NInChI: InChI=1S/C10H12O4/c1-13-5-6-14-9-4-2-3-8(7-9)10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)
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3-(2-(tert-Butoxycarbonyl)hydrazinyl)benzoic acidCas Number: 156899-02-4 Compound CID: 21701807Formula: C12H16N2O4 Molecular Weight: 252.27IUPAC Name: 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]benzoic acidSMILES: CC(C)(C)OC(=O)NNC1=CC=CC(=C1)C(=O)OInChIKey: QALBKMGURMIQOA-UHFFFAOYSA-NInChI: InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-13-9-6-4-5-8(7-9)10(15)16/h4-7,13H,1-3H3,(H,14,17)(H,15,16)
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3-(2-Amino-4-thiazolyl)benzoic AcidCas Number: 862254-43-1 Compound CID: 53393796Formula: C10H8N2O2S Molecular Weight: 220.25IUPAC Name: 3-(2-amino-1,3-thiazol-4-yl)benzoic acidSMILES: C1=CC(=CC(=C1)C(=O)O)C2=CSC(=N2)NInChIKey: FUVRHVASGCIPSM-UHFFFAOYSA-NInChI: InChI=1S/C10H8N2O2S/c11-10-12-8(5-15-10)6-2-1-3-7(4-6)9(13)14/h1-5H,(H2,11,12)(H,13,14)
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3-(1，3-Thiazol-2-yl)benzoic acidCas Number: 847956-27-8 Compound CID: 21075087Formula: C10H7NO2S Molecular Weight: 205.24IUPAC Name: 3-(1,3-thiazol-2-yl)benzoic acidSMILES: C1=CC(=CC(=C1)C(=O)O)C2=NC=CS2InChIKey: BLFSSABBFANDKK-UHFFFAOYSA-NInChI: InChI=1S/C10H7NO2S/c12-10(13)8-3-1-2-7(6-8)9-11-4-5-14-9/h1-6H,(H,12,13)
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2，6-Dichloro-4-Fluorobenzoic AcidCas Number: 232275-55-7 Compound CID: 22571731Formula: C7H3Cl2FO2 Molecular Weight: 209IUPAC Name: 2,6-dichloro-4-fluorobenzoic acidSMILES: C1=C(C=C(C(=C1Cl)C(=O)O)Cl)FInChIKey: NLVLBEXWAAXPCO-UHFFFAOYSA-NInChI: InChI=1S/C7H3Cl2FO2/c8-4-1-3(10)2-5(9)6(4)7(11)12/h1-2H,(H,11,12)
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2，3-Dichloro-6-(trifluoromethyl)benzoic acidCas Number: 25922-43-4 Compound CID: 11651803Formula: C8H3O2F3Cl2 Molecular Weight: 259IUPAC Name: 2,3-dichloro-6-(trifluoromethyl)benzoic acidSMILES: C1=CC(=C(C(=C1C(F)(F)F)C(=O)O)Cl)ClInChIKey: BHQKUOSDTCYXEE-UHFFFAOYSA-NInChI: InChI=1S/C8H3Cl2F3O2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H,14,15)
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2-prop-2-enoxybenzoic AcidFormula: C10H10O3 Molecular Weight: 178.18IUPAC Name: 2-prop-2-enoxybenzoic acidSMILES: C=CCOC1=CC=CC=C1C(=O)OInChIKey: XPWMIGFSEWFXEZ-UHFFFAOYSA-NInChI: InChI=1S/C10H10O3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h2-6H,1,7H2,(H,11,12)
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2-(Difluoromethyl)benzoic acidCas Number: 799814-32-7 Compound CID: 11499292Formula: C8H6F2O2 Molecular Weight: 172.13IUPAC Name: 2-(difluoromethyl)benzoic acidSMILES: C1=CC=C(C(=C1)C(F)F)C(=O)OInChIKey: CCADJZMMYROPCV-UHFFFAOYSA-NInChI: InChI=1S/C8H6F2O2/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7H,(H,11,12)
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2-(4-Methylpiperazin-1-ylmethyl)benzoic acidCas Number: 514209-40-6 Compound CID: 4769784Formula: C13H18N2O2 Molecular Weight: 234.3IUPAC Name: 2-[(4-methylpiperazin-1-yl)methyl]benzoic acidSMILES: CN1CCN(CC1)CC2=CC=CC=C2C(=O)OInChIKey: QFGAZCPGMRUCDN-UHFFFAOYSA-NInChI: InChI=1S/C13H18N2O2/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13(16)17/h2-5H,6-10H2,1H3,(H,16,17)
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2-(4-CARBOXYPHENYL)-1，3，2-DIOXABORINANECas Number: 126747-13-5 Compound CID: 14527865Formula: C10H11BO4 Molecular Weight: 206.01IUPAC Name: 4-(1,3,2-dioxaborinan-2-yl)benzoic acidSMILES: B1(OCCCO1)C2=CC=C(C=C2)C(=O)OInChIKey: YYTULIYDVGLPGK-UHFFFAOYSA-NInChI: InChI=1S/C10H11BO4/c12-10(13)8-2-4-9(5-3-8)11-14-6-1-7-15-11/h2-5H,1,6-7H2,(H,12,13)
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2-(1-Aminoethyl)benzoic acid hydrochlorideCas Number: 658683-12-6 Compound CID: 53407277Formula: C9H12ClNO2 Molecular Weight: 201.65IUPAC Name: 2-(1-aminoethyl)benzoic acid;hydrochlorideSMILES: CC(C1=CC=CC=C1C(=O)O)N.ClInChIKey: GEYYPUHNSHAXET-UHFFFAOYSA-NInChI: InChI=1S/C9H11NO2.ClH/c1-6(10)7-4-2-3-5-8(7)9(11)12;/h2-6H,10H2,1H3,(H,11,12);1H
