Cas no 287111-19-7 (DODECANOIC ACID-1,2-13C2)
DODECANOIC ACID-1,2-13C2 structure
Product Name:DODECANOIC ACID-1,2-13C2
CAS No:287111-19-7
MF:C12H24O2
MW:202.303073883057
CID:2839321
PubChem ID:16217355
Update Time:2025-04-21
DODECANOIC ACID-1,2-13C2 Chemical and Physical Properties
Names and Identifiers
-
- Dodecanoic acid-1,2-13C2
- 287111-19-7
- (1,2-~13~C_2_)Dodecanoic acid
- (1,2-13C2)Dodecanoic acid
- Lauric acid-1,2-13C2, 99 atom % 13C
- DTXCID40535104
- Lauric acid-1,2-13C2
- DTXSID40584339
- DODECANOIC ACID-1,2-13C2
-
- Inchi： 1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/i11+1,12+1
- InChI Key： POULHZVOKOAJMA-ALQHTKJJSA-N
- SMILES： O[13C]([13CH2]CCCCCCCCCC)=O
Computed Properties
- Exact Mass: 202.184339675g/mol
- Monoisotopic Mass: 202.184339675g/mol
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 10
- Complexity: 132
- 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: 4.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Melting Point: 44-46?°C(lit.)
- Boiling Point: 225?°C100?mm Hg(lit.)
DODECANOIC ACID-1,2-13C2 Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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