Cas no 1194042-14-2 (falcarindiol)
falcarindiol structure
Product Name:falcarindiol
CAS No:1194042-14-2
MF:C17H24O2
MW:260.371265411377
CID:2004260
PubChem ID:16086648
Update Time:2025-04-21
falcarindiol Chemical and Physical Properties
Names and Identifiers
-
- falcarindiol
- (3R,8R,9Z)-Heptadeca-1,9-dien-4,6-diyne-3,8-diol
- 55297-87-5
- 1194042-14-2
- (3R,8R,Z)-Heptadeca-1,9-dien-4,6-diyne-3,8-diol
-
- Inchi： 1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17-/m1/s1
- InChI Key： QWCNQXNAFCBLLV-QYRJGMMTSA-N
- SMILES： O[C@@H](C#CC#C[C@@H](C=C)O)/C=C\CCCCCCC
Computed Properties
- Exact Mass: 260.177630004Da
- Monoisotopic Mass: 260.177630004Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 394
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 40.5?2
falcarindiol Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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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
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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