Cas no 52302-99-5 (Phenol, 3-(8-pentadecenyl)-)
Phenol, 3-(8-pentadecenyl)- structure
Product Name:Phenol, 3-(8-pentadecenyl)-
Phenol, 3-(8-pentadecenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-(8-pentadecenyl)-
- 3-pentadec-8-enylphenol
- 3-(-pentadeca-8-enyl)phenol
- NS00094692
- 8007-24-7
- Cardanol C15:1
- NS00008465
- DTXSID00287455
- FT-0696802
- 52302-99-5
- SCHEMBL2688783
-
- Inchi： 1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h7-8,15,17-19,22H,2-6,9-14,16H2,1H3
- InChI Key： YLKVIMNNMLKUGJ-UHFFFAOYSA-N
- SMILES： OC1=CC=CC(=C1)CCCCCCCC=CCCCCCC
Computed Properties
- Exact Mass: 302.26112
- Monoisotopic Mass: 302.261
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 13
- Complexity: 259
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 8.5
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Phenol, 3-(8-pentadecenyl)- Related Literature
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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