Cas no 28652-08-6 (Phenol, trinonyl- (9CI))
Phenol, trinonyl- (9CI) structure
Product Name:Phenol, trinonyl- (9CI)
CAS No:28652-08-6
MF:C33H60O
MW:472.828910827637
CID:287391
PubChem ID:3015421
Update Time:2025-04-19
Phenol, trinonyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Phenol, trinonyl- (9CI)
- 2,3,4-tri(nonyl)phenol
- 2,3,4-trinonylphenol
- Trinonylphenol
- EINECS 249-121-2
- NS00028513
- DTXSID30182808
- 28652-08-6
- SCHEMBL984748
-
- Inchi： 1S/C33H60O/c1-4-7-10-13-16-19-22-25-30-28-29-33(34)32(27-24-21-18-15-12-9-6-3)31(30)26-23-20-17-14-11-8-5-2/h28-29,34H,4-27H2,1-3H3
- InChI Key： RBPAPQWTNWGCGO-UHFFFAOYSA-N
- SMILES： OC1=CC=C(CCCCCCCCC)C(=C1CCCCCCCCC)CCCCCCCCC
Computed Properties
- Exact Mass: 472.4647
- Monoisotopic Mass: 472.464416533g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 34
- Rotatable Bond Count: 24
- Complexity: 405
- 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: 15.3
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Phenol, trinonyl- (9CI) Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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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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