Cas no 87822-17-1 (1,3-Cyclohexanedione, 5-(3,5-dimethylphenyl)-)
87822-17-1 structure
Product Name:1,3-Cyclohexanedione, 5-(3,5-dimethylphenyl)-
CAS No:87822-17-1
MF:C14H16O2
MW:216.275644302368
CID:651990
PubChem ID:52939082
Update Time:2025-04-19
1,3-Cyclohexanedione, 5-(3,5-dimethylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexanedione, 5-(3,5-dimethylphenyl)-
- 5-(3,5-dimethylphenyl)cyclohexane-1,3-dione
- AKOS019913138
- CHEMBL1939008
- SCHEMBL12676490
- 87822-17-1
- DTXSID60680645
-
- Inchi： 1S/C14H16O2/c1-9-3-10(2)5-11(4-9)12-6-13(15)8-14(16)7-12/h3-5,12H,6-8H2,1-2H3
- InChI Key： MKXIOMJWYCENJQ-UHFFFAOYSA-N
- SMILES： O=C1CC(CC(C2C=C(C)C=C(C)C=2)C1)=O
Computed Properties
- Exact Mass: 216.115029749g/mol
- Monoisotopic Mass: 216.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 269
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 34.1?2
1,3-Cyclohexanedione, 5-(3,5-dimethylphenyl)- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
87822-17-1 (1,3-Cyclohexanedione, 5-(3,5-dimethylphenyl)-) Related Products
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- 4894-75-1(4-phenylcyclohexan-1-one)
- 946-33-8(2-Benzylcyclohexan-1-one)
- 493-72-1(5-Phenylcyclohexane-1,3-dione)
- 5409-60-9(4,4-Diphenyl-2-butanone)
- 1444-65-1(2-phenylcyclohexan-1-one)
- 38861-78-8(4-Isobutylacetophenone)
- 14996-78-2(2-phenylcycloheptan-1-one)
- 1466-74-6(4-phenylcyclohexane-1-carbaldehyde)
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