Cas no 95102-14-0 (1-Dodecanone, 1-(2,4-dihydroxy-5-methylphenyl)-)
95102-14-0 structure
Product Name:1-Dodecanone, 1-(2,4-dihydroxy-5-methylphenyl)-
CAS No:95102-14-0
MF:C19H30O3
MW:306.439706325531
CID:2818644
PubChem ID:71330712
Update Time:2024-03-01
1-Dodecanone, 1-(2,4-dihydroxy-5-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
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- 1-Dodecanone, 1-(2,4-dihydroxy-5-methylphenyl)-
- 1-(2,4-dihydroxy-5-methylphenyl)-1-dodecanone
- 1-(2,4-DIHYDROXY-5-METHYLPHENYL)DODECAN-1-ONE
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- Inchi： 1S/C19H30O3/c1-3-4-5-6-7-8-9-10-11-12-17(20)16-13-15(2)18(21)14-19(16)22/h13-14,21-22H,3-12H2,1-2H3
- InChI Key： JESDAJIZIUPAKI-UHFFFAOYSA-N
- SMILES： O=C(C1C(=CC(=C(C)C=1)O)O)CCCCCCCCCCC
Computed Properties
- Exact Mass: 306.21949481g/mol
- Monoisotopic Mass: 306.21949481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 11
- Complexity: 303
- 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: 7
- Topological Polar Surface Area: 57.5
1-Dodecanone, 1-(2,4-dihydroxy-5-methylphenyl)- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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