Cas no 287100-86-1 (STEARIC ACID-1,2-13C2)
STEARIC ACID-1,2-13C2 structure
Product Name:STEARIC ACID-1,2-13C2
CAS No:287100-86-1
MF:C18H36O2
MW:286.462555885315
CID:2839314
PubChem ID:16217427
Update Time:2025-04-21
STEARIC ACID-1,2-13C2 Chemical and Physical Properties
Names and Identifiers
-
- Octadecanoic acid-1,2-13C2
- DTXSID10584386
- (1,2-13C2)Octadecanoic acid
- Stearic acid-1,2-13C2, 99 atom % 13C
- Stearic acid-1,2-13C2
- SCHEMBL1330809
- DTXCID10535151
- (1,2-~13~C_2_)Octadecanoic acid
- 287100-86-1
- STEARIC ACID-1,2-13C2
-
- Inchi： 1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i17+1,18+1
- InChI Key： QIQXTHQIDYTFRH-VJNPICPZSA-N
- SMILES： O[13C]([13CH2]CCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 286.278240058g/mol
- Monoisotopic Mass: 286.278240058g/mol
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 16
- Complexity: 202
- 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: 7.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Melting Point: 68-70?°C(lit.)
- Boiling Point: 361?°C(lit.)
STEARIC ACID-1,2-13C2 Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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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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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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