Cas no 20913-07-9 (Benzenetridecanoic acid)
Benzenetridecanoic acid structure
Product Name:Benzenetridecanoic acid
CAS No:20913-07-9
MF:C19H30O2
MW:290.440306186676
CID:1396862
PubChem ID:10541544
Update Time:2025-04-20
Benzenetridecanoic acid Chemical and Physical Properties
Names and Identifiers
-
- Benzenetridecanoic acid
- 13-phenyltridecanoic acid
- LMFA01140067
- 13-phenyl tridecanoic acid
- 20913-07-9
- SCHEMBL786517
- Q2823197
- 13-phenyl-tridecanoic acid
- LMFA01140025
- 13-phenyltridecanoicAcid
- JVPLVXRNWLOHML-UHFFFAOYSA-N
- DTXSID70441542
-
- Inchi： 1S/C19H30O2/c20-19(21)17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h9,11-12,15-16H,1-8,10,13-14,17H2,(H,20,21)
- InChI Key： JVPLVXRNWLOHML-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCCCCCCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 290.2247
- Monoisotopic Mass: 290.224580195g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 13
- Complexity: 244
- 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: 6.8
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Benzenetridecanoic acid Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Long-chain fatty acids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Fatty Acyls Long-chain fatty acids
- Natural Products and Extracts Plant Extracts Plant based Nephthytis poissonii
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