Cas no 121269-37-2 (Benzenedodecanoic acid, 3-iodo-)
121269-37-2 structure
Product Name:Benzenedodecanoic acid, 3-iodo-
CAS No:121269-37-2
MF:C18H27IO2
MW:402.310258150101
CID:1212076
PubChem ID:14584163
Update Time:2025-04-20
Benzenedodecanoic acid, 3-iodo- Chemical and Physical Properties
Names and Identifiers
-
- Benzenedodecanoic acid, 3-iodo-
- 12-(3-iodophenyl)dodecanoic acid
- SCHEMBL8661713
- 12-m-iodophenyldodecanoic acid
- OEYYESYFOAZJAO-UHFFFAOYSA-N
- 121269-37-2
- DTXSID30561912
-
- Inchi： 1S/C18H27IO2/c19-17-13-10-12-16(15-17)11-8-6-4-2-1-3-5-7-9-14-18(20)21/h10,12-13,15H,1-9,11,14H2,(H,20,21)
- InChI Key： OEYYESYFOAZJAO-UHFFFAOYSA-N
- SMILES： IC1=CC=CC(=C1)CCCCCCCCCCCC(=O)O
Computed Properties
- Exact Mass: 244.94462
- Monoisotopic Mass: 402.10558g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 12
- Complexity: 268
- 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: 6.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 41.57
Benzenedodecanoic acid, 3-iodo- Related Literature
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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