Cas no 37469-99-1 (12-(9-anthroyl)stearic acid)
12-(9-anthroyl)stearic acid structure
Product Name:12-(9-anthroyl)stearic acid
12-(9-anthroyl)stearic acid Chemical and Physical Properties
Names and Identifiers
-
- 12-(9-anthroyl)stearic acid
- 12-(anthracene-9-carbonyl)octadecanoic acid
- DTXSID50958562
- Anthroylstearic acid
- 37469-99-1
- 9-Anthracenetridecanoic acid, .lambda.-hexyl-mu-oxo-
- SCHEMBL9690237
-
- Inchi： 1S/C33H44O3/c1-2-3-4-11-18-26(19-12-9-7-5-6-8-10-13-24-31(34)35)33(36)32-29-22-16-14-20-27(29)25-28-21-15-17-23-30(28)32/h14-17,20-23,25-26H,2-13,18-19,24H2,1H3,(H,34,35)
- InChI Key： JMMLWELOFXAQEI-UHFFFAOYSA-N
- SMILES： O=C(C1C2C=CC=CC=2C=C2C=CC=CC=12)C(CCCCCC)CCCCCCCCCCC(=O)O
Computed Properties
- Exact Mass: 488.32922
- Monoisotopic Mass: 488.32904526g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 36
- Rotatable Bond Count: 18
- Complexity: 606
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 11.1
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
12-(9-anthroyl)stearic acid Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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