Cas no 37577-48-3 (9,10-Dimethyl-octacosanoic acid)
37577-48-3 structure
Product Name:9,10-Dimethyl-octacosanoic acid
CAS No:37577-48-3
MF:C30H60O2
MW:452.796210289001
CID:2666280
Update Time:2023-08-06
9,10-Dimethyl-octacosanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 9,10-dimethyl-octacosanoic acid
- Nodoic acid
- LMFA01020234
- 9,10-Dimethyl-octacosanoic acid
-
- Inchi： 1S/C30H60O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-28(2)29(3)26-23-20-18-21-24-27-30(31)32/h28-29H,4-27H2,1-3H3,(H,31,32)
- InChI Key： VUKQWNTVHBAURS-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCC(C)C(C)CCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 452.459
- Monoisotopic Mass: 452.459
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 26
- Complexity: 379
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 13.4
- Topological Polar Surface Area: 37.3
9,10-Dimethyl-octacosanoic acid Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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