Cas no 139729-95-6 (Heptacosanoic acid, 2-hydroxy-)
139729-95-6 structure
Product Name:Heptacosanoic acid, 2-hydroxy-
CAS No:139729-95-6
MF:C27H54O3
MW:426.715869426727
CID:1280804
PubChem ID:71343045
Update Time:2025-04-20
Heptacosanoic acid, 2-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Heptacosanoic acid, 2-hydroxy-
- 2-hydroxyheptacosanoic acid
- SCHEMBL524843
- DTXSID20769708
- 139729-95-6
-
- Inchi： 1S/C27H54O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(28)27(29)30/h26,28H,2-25H2,1H3,(H,29,30)
- InChI Key： ZFPIEBUFHZZBPX-UHFFFAOYSA-N
- SMILES： OC(C(=O)O)CCCCCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 426.40752
- Monoisotopic Mass: 426.40729558g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 30
- Rotatable Bond Count: 25
- Complexity: 343
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 12.3
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Heptacosanoic acid, 2-hydroxy- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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4. 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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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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