Cas no 121730-36-7 (hexatetracontanoic acid)
hexatetracontanoic acid structure
Product Name:hexatetracontanoic acid
CAS No:121730-36-7
MF:C46H92O2
MW:677.221495628357
CID:1212907
PubChem ID:5282599
Update Time:2025-04-20
hexatetracontanoic acid Chemical and Physical Properties
Names and Identifiers
-
- hexatetracontanoic acid
- LMFA01010039
- SCHEMBL503755
- CHEBI:165443
- C46:0
- 121730-36-7
- DTXSID501313728
-
- Inchi： 1S/C46H92O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46(47)48/h2-45H2,1H3,(H,47,48)
- InChI Key： PLPABYLKGGTKBQ-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 676.71016
- Monoisotopic Mass: 676.70973217g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 48
- Rotatable Bond Count: 44
- Complexity: 572
- 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: 22.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 0.865
- Boiling Point: 504.9°C at 760 mmHg
- Flash Point: 222.4°C
- Refractive Index: 1.466
- PSA: 37.3
hexatetracontanoic acid Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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