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Beta-diketones
Description:
Organic compounds containing two keto groups separated by a single carbon atom.
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1，1-DifluoroacetylacetoneCas Number: 41739-23-5 Compound CID: 2778488Formula: C5H6F2O2 Molecular Weight: 136.1IUPAC Name: 1,1-difluoropentane-2,4-dioneSMILES: CC(=O)CC(=O)C(F)FInChIKey: XUGVULWHXORSOM-UHFFFAOYSA-NInChI: InChI=1S/C5H6F2O2/c1-3(8)2-4(9)5(6)7/h5H,2H2,1H3 -
1-Methoxypentane-2，4-dioneCas Number: 6290-50-2 Compound CID: 221734Formula: C6H10O3 Molecular Weight: 130.139IUPAC Name: 1-methoxypentane-2,4-dioneSMILES: CC(=O)CC(=O)COCInChIKey: RZCMFVQMQKCVEN-UHFFFAOYSA-NInChI: InChI=1S/C6H10O3/c1-5(7)3-6(8)4-9-2/h3-4H2,1-2H3 -
2-(2,2-dimethylpropanoyl)cyclohexan-1-oneCas Number: 41043-87-2 Compound CID: 12688663Formula: C11H18O2 Molecular Weight: 182.26SMILES: CC(C)(C)C(=O)C1CCCCC1=OInChIKey: PSKHBOYPKJSALS-UHFFFAOYSA-NInChI: InChI=1S/C11H18O2/c1-11(2,3)10(13)8-6-4-5-7-9(8)12/h8H,4-7H2,1-3H3 -
spiro[3.5]nonane-6,8-dioneCas Number: 221342-48-9 Compound CID: 12086855Formula: C9H12O2 Molecular Weight: 152.19IUPAC Name: spiro[3.5]nonane-6,8-dioneSMILES: C1CC2(C1)CC(=O)CC(=O)C2InChIKey: UIGXEVGBZZHZJY-UHFFFAOYSA-NInChI: InChI=1S/C9H12O2/c10-7-4-8(11)6-9(5-7)2-1-3-9/h1-6H2
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5-(trifluoromethyl)cyclohexane-1,3-dioneCas Number: 124612-15-3 Compound CID: 59226574Formula: C7H7F3O2 Molecular Weight: 180.13IUPAC Name: 5-(trifluoromethyl)cyclohexane-1,3-dioneSMILES: C1C(CC(=O)CC1=O)C(F)(F)FInChIKey: RECFBOFLRZHLSU-UHFFFAOYSA-NInChI: InChI=1S/C7H7F3O2/c8-7(9,10)4-1-5(11)3-6(12)2-4/h4H,1-3H2Synonyms: 5-trifluoromethyl-1,3-cyclohexanedione | SCHEMBL1711546 | AS-51090 | SY244815 | AMY35000 | SB15819 | AKOS025211814 | ...
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2-Acetyl-1,3-cyclohexanedioneCas Number: 4056-73-9Formula: CH3COC6H7(=O)2 Molecular Weight: 154.16IUPAC Name: 2-acetylcyclohexane-1,3-dioneSMILES: CC(=O)C1C(=O)CCCC1=OInChIKey: CHNXDYRMRBQOEF-UHFFFAOYSA-NInChI: InChI=1S/C8H10O3/c1-5(9)8-6(10)3-2-4-7(8)11/h8H,2-4H2,1H3Synonyms: BDBM50088797 | EN300-92175 | 2-Acetyl-1,3-cyclohexanedione | 2-acetyl1,3-cyclohexanedione | MFCD00001586 | AKOS015906...
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AcetylacetoneCas Number: 123-54-6 EC Number: 204-634-0Formula: C5H8O2 Molecular Weight: 100.12IUPAC Name: pentane-2,4-dioneSMILES: CC(=O)CC(=O)CInChIKey: YRKCREAYFQTBPV-UHFFFAOYSA-NInChI: InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3Synonyms: 2,4-Dioxopentane | Acetylacetone;Pentane-2,4-dione | CAS-123-54-6 | pentan-2 | Pentane-2,4-dione [UN2310] [Flammable ...
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Bicyclo[3.2.1]octane-2,4-dioneCas Number: 74896-14-3Formula: C8H10O2 Molecular Weight: 138.17IUPAC Name: bicyclo[3.2.1]octane-2,4-dioneSMILES: C1CC2CC1C(=O)CC2=OInChIKey: VCYHIHMHWASQAB-UHFFFAOYSA-NInChI: InChI=1S/C8H10O2/c9-7-4-8(10)6-2-1-5(7)3-6/h5-6H,1-4H2Synonyms: SY300100 | SCHEMBL125652 | DTXSID50996388 | W16850 | EX-A3045 | Bicyclo(3.2.1)octane-2,4-dione | Bicyclo[3.2.1]octane...
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2,2,6,6-Tetramethyl-3,5-heptanedioneFormula: C11H20O2 Molecular Weight: 184.28IUPAC Name: 2,2,6,6-tetramethylheptane-3,5-dioneSMILES: CC(C)(C)C(=O)CC(=O)C(C)(C)CInChIKey: YRAJNWYBUCUFBD-UHFFFAOYSA-NInChI: InChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7H2,1-6H3Synonyms: 1118-71-4|Dipivaloylmethane|2,2,6,6-Tetramethylheptane-3,5-dione|2,2,6,6-Tetramethyl-3,5-heptanedione|3,5-Heptanedion...
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1-Phenylpentane-2,4-dioneCas Number: 3318-61-4 EC Number: ‘222-015-3 Compound CID: 18723Formula: C11H12O2 Molecular Weight: 176.21IUPAC Name: 1-phenylpentane-2,4-dioneSMILES: CC(=O)CC(=O)CC1=CC=CC=C1InChIKey: NROOHYGFTHTDFF-UHFFFAOYSA-NInChI: InChI=1S/C11H12O2/c1-9(12)7-11(13)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3Synonyms: Z1198148922 | EN300-154695 | SCHEMBL1535041 | 1-phenyl-pentane-2,4-dione | 1-Phenylpentane-2,4-dione | MFCD00048231 |...
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3-Ethyl-2,4-pentanedione, mixture of tautomersCas Number: 1540-34-7Formula: C7H12O2 Molecular Weight: 128.17IUPAC Name: 3-ethylpentane-2,4-dioneSMILES: CCC(C(=O)C)C(=O)CInChIKey: GUARKOVVHJSMRW-UHFFFAOYSA-NInChI: InChI=1S/C7H12O2/c1-4-7(5(2)8)6(3)9/h7H,4H2,1-3H3Synonyms: DTXSID30165510 | 7GK69H2R84 | Z119984130 | Q63393699 | 3-ethyl-2,4-pentandione | A809494 | D90505 | 2,4-PENTANEDIONE,...
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5-Methyl-2,4-hexanedioneCas Number: 7307-03-1Formula: C7H12O2 Molecular Weight: 128.17IUPAC Name: 5-methylhexane-2,4-dioneSMILES: CC(C)C(=O)CC(=O)CInChIKey: KHZGUWAFFHXZLC-UHFFFAOYSA-NInChI: InChI=1S/C7H12O2/c1-5(2)7(9)4-6(3)8/h5H,4H2,1-3H3Synonyms: 5-Methyl-2,4-hexanedione, AldrichCPR | 4-HEXEN-3-ONE,5-HYDROXY | AKOS004115496 | 2,4-Hexanedione, 5-methyl- | Z102146...
