Cas no 287111-14-2 (LAURIC ACID-1,2,3,4-13C4)
LAURIC ACID-1,2,3,4-13C4 structure
Product Name:LAURIC ACID-1,2,3,4-13C4
CAS No:287111-14-2
MF:C12H24O2
MW:204.288383483887
CID:2839320
PubChem ID:71308915
Update Time:2025-04-21
LAURIC ACID-1,2,3,4-13C4 Chemical and Physical Properties
Names and Identifiers
-
- Dodecanoic acid-1,2,3,4-13C4
- (1,2,3,4-13C4)dodecanoic acid
- Lauric acid-1,2,3,4-13C4
- (1,2,3,4-~13~C_4_)Dodecanoic acid
- DTXSID40745701
- 287111-14-2
- DTXCID80696445
- Lauric acid-1,2,3,4-13C4, 99 atom % 13C
- LAURIC ACID-1,2,3,4-13C4
-
- Inchi： 1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/i9+1,10+1,11+1,12+1
- InChI Key： POULHZVOKOAJMA-BMHINFNASA-N
- SMILES： O[13C]([13CH2][13CH2][13CH2]CCCCCCCC)=O
Computed Properties
- Exact Mass: 204.19104935g/mol
- Monoisotopic Mass: 204.19104935g/mol
- Isotope Atom Count: 4
- 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?°C/100?mmHg(lit.)
LAURIC ACID-1,2,3,4-13C4 Related Literature
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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