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Beta-diketones
Description:
Organic compounds containing two keto groups separated by a single carbon atom.
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2-AcetylcyclopentanoneCas Number: 1670-46-8 EC Number: 216-797-5Formula: C7H10O2 Molecular Weight: 126.15IUPAC Name: 2-acetylcyclopentan-1-oneSMILES: CC(=O)C1CCCC1=OInChIKey: OSWDNIFICGLKEE-UHFFFAOYSA-NInChI: InChI=1S/C7H10O2/c1-5(8)6-3-2-4-7(6)9/h6H,2-4H2,1H3Synonyms: BRN 1857601 | Acetylcyclopentanone | Iodohippurate sodium, i-123 | 1-Octadecanesulfonic acid sodium salt | 4-07-00-01... -
2-Methyl-1,3-cyclopentanedioneCas Number: 765-69-5Formula: C6H8O2 Molecular Weight: 112.13IUPAC Name: 2-methylcyclopentane-1,3-dioneSMILES: CC1C(=O)CCC1=OInChIKey: HXZILEQYFQYQCE-UHFFFAOYSA-NInChI: InChI=1S/C6H8O2/c1-4-5(7)2-3-6(4)8/h4H,2-3H2,1H3Synonyms: 2-Methyl-1,3-cyclopentadione | A838747 | 2-methyl-1,3-cyclopentandione | AM20100124 | M0901 | SY015623 | NSC 54458 | ...
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3-Ethyl-2,4-pentanedioneCas 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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2-oxaspiro[3.5]nonane-6,8-dioneCas Number: 1630907-24-2Formula: C8H10O3 Molecular Weight: 154.165IUPAC Name: 2-oxaspiro[3.5]nonane-6,8-dioneSMILES: C1C(=O)CC2(CC1=O)COC2InChIKey: DYLGBDVLXLBMFZ-UHFFFAOYSA-NInChI: InChI=1S/C8H10O3/c9-6-1-7(10)3-8(2-6)4-11-5-8/h1-5H2Synonyms: 2-oxaspiro[3.5]nonane-6,8-dione|1630907-24-2|MFCD27988086|SCHEMBL19839337|DTXSID801303988|AKOS025289928|SB21885|AS-52...
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oxane-3,5-dioneCas Number: 61363-56-2Formula: C5H6O3 Molecular Weight: 114.10IUPAC Name: oxane-3,5-dioneSMILES: C1C(=O)COCC1=OInChIKey: SMIQVIXGQSMHKF-UHFFFAOYSA-NInChI: InChI=1S/C5H6O3/c6-4-1-5(7)3-8-2-4/h1-3H2Synonyms: AKOS006288857 | DTXSID70315279 | GS-4553 | SMIQVIXGQSMHKF-UHFFFAOYSA-N | 2H-Pyran-3,5-(4H,6H)-dione | 2H-pyran-3,5(4H...
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1,3-CycloheptanedioneCas Number: 1194-18-9 Compound CID: 4072367Formula: C7H10(=O)2 Molecular Weight: 126.15IUPAC Name: cycloheptane-1,3-dioneSMILES: C1CCC(=O)CC(=O)C1InChIKey: DBOVMTXPZWVYAQ-UHFFFAOYSA-NInChI: InChI=1S/C7H10O2/c8-6-3-1-2-4-7(9)5-6/h1-5H2Synonyms: 1 3-CYCLOHEPTANEDIONE | 1 3-cycloheptanedione 97 | SCHEMBL696582 | 1 3-Cycloheptanedione 97 | AM85496 | DTXSID203990...
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5-(2-Furyl)-1,3-cyclohexanedioneCas Number: 1774-11-4Formula: C10H10O3 Molecular Weight: 178.18IUPAC Name: 5-(furan-2-yl)cyclohexane-1,3-dioneSMILES: C1C(CC(=O)CC1=O)C2=CC=CO2InChIKey: FYLTVHCMIYGVPZ-UHFFFAOYSA-NInChI: InChI=1S/C10H10O3/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h1-3,7H,4-6H2Synonyms: 1774-11-4|5-(furan-2-yl)cyclohexane-1,3-dione|5-(2-furyl)cyclohexane-1,3-dione|5-(2-Furyl)-1,3-cyclohexanedione|1,3-C...
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3-ChloroacetylacetoneCas Number: 1694-29-7 EC Number: 216-902-4Formula: C5H7ClO2 Molecular Weight: 134.56IUPAC Name: 3-chloropentane-2,4-dioneSMILES: CC(=O)C(C(=O)C)ClInChIKey: VLRGXXKFHVJQOL-UHFFFAOYSA-NInChI: InChI=1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3Synonyms: 3-chloro-2 | 3-Chloro 2,4-pentanedione | AKOS005720748 | F2190-0294 | XKV5PX3SLJ | DTXSID9061887 | 3-Chloro.2,4-penta...
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2-BROMO-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONECas Number: 1195-91-1Formula: C8H11BrO2 Molecular Weight: 219.08IUPAC Name: 2-bromo-5,5-dimethylcyclohexane-1,3-dioneSMILES: CC1(CC(=O)C(C(=O)C1)Br)CInChIKey: OCXANUSFMRALNG-UHFFFAOYSA-NInChI: InChI=1S/C8H11BrO2/c1-8(2)3-5(10)7(9)6(11)4-8/h7H,3-4H2,1-2H3Synonyms: 1195-91-1|2-bromo-5,5-dimethylcyclohexane-1,3-dione|2-Bromo-5,5-dimethyl-1,3-cyclohexanedione|1,3-Cyclohexanedione, 2...
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2-Isobutyrylcyclohexanone (total of isomers)Cas Number: 39207-65-3Formula: C10H16O2 Molecular Weight: 168.23IUPAC Name: 2-(2-methylpropanoyl)cyclohexan-1-oneSMILES: CC(C)C(=O)C1CCCCC1=OInChIKey: PFOYYSGBGILOQZ-UHFFFAOYSA-NInChI: InChI=1S/C10H16O2/c1-7(2)10(12)8-5-3-4-6-9(8)11/h7-8H,3-6H2,1-2H3Synonyms: 2-(2-Methyl-1-oxopropyl)cyclohexanone | 2-Isobutyrylcyclohexanone, 96% | 2-Isobutyrylcyclohexanone, 96% (~96% enol fo...
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5,5-Dimethylhexane-2,4-dioneCas Number: 7307-04-2 EC Number: 230-760-0Formula: (CH3)3CC(O)CH2C(O)CH3 Molecular Weight: 142.2IUPAC Name: 5,5-dimethylhexane-2,4-dioneSMILES: CC(=O)CC(=O)C(C)(C)CInChIKey: LCLCVVVHIPPHCG-UHFFFAOYSA-NInChI: InChI=1S/C8H14O2/c1-6(9)5-7(10)8(2,3)4/h5H2,1-4H3Synonyms: 5,5-Dimethylhexane-2,4-dione|7307-04-2|2,2-DIMETHYL-3,5-HEXANEDIONE|2,4-Hexanedione, 5,5-dimethyl-|pivaloylacetone|Pi...
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5,5-Dimethyl-1,3-cyclohexanedioneCas Number: 126-81-8Formula: C8H12O2 Molecular Weight: 140.18IUPAC Name: 5,5-dimethylcyclohexane-1,3-dioneSMILES: CC1(CC(=O)CC(=O)C1)CInChIKey: BADXJIPKFRBFOT-UHFFFAOYSA-NInChI: InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3Synonyms: 5,5-Dimethyl-1,3-cyclohexanedione, 95% | NSC43759 | NSC-43759 | Cyclomethone | 1,1-Dimethyl-3,5-diketocyclohexane | N...
