Cas no 68151-16-6 (9-Phenanthrenebutanoic acid)
9-Phenanthrenebutanoic acid structure
Product Name:9-Phenanthrenebutanoic acid
CAS No:68151-16-6
MF:C18H16O2
MW:264.318445205688
CID:393634
PubChem ID:12486010
Update Time:2025-04-19
9-Phenanthrenebutanoic acid Chemical and Physical Properties
Names and Identifiers
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- 9-Phenanthrenebutanoic acid
- 4-phenanthren-9-ylbutanoic acid
- 4-(PHENANTHREN-9-YL)BUTANOIC ACID
- 68151-16-6
- DTXSID20500037
-
- Inchi： 1S/C18H16O2/c19-18(20)11-5-7-14-12-13-6-1-2-8-15(13)17-10-4-3-9-16(14)17/h1-4,6,8-10,12H,5,7,11H2,(H,19,20)
- InChI Key： VBALUTDUDGQZGE-UHFFFAOYSA-N
- SMILES： OC(CCCC1C=C2C=CC=CC2=C2C=CC=CC=12)=O
Computed Properties
- Exact Mass: 264.11508
- Monoisotopic Mass: 264.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 338
- 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: 4.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
9-Phenanthrenebutanoic acid Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
68151-16-6 (9-Phenanthrenebutanoic acid) Related Products
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