Cas no 30098-17-0 (Benzenepentanoic acid, 2,5-dimethyl-)
30098-17-0 structure
Product Name:Benzenepentanoic acid, 2,5-dimethyl-
CAS No:30098-17-0
MF:C13H18O2
MW:206.280824184418
CID:1441616
PubChem ID:11390129
Update Time:2025-04-20
Benzenepentanoic acid, 2,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepentanoic acid, 2,5-dimethyl-
- 5-(2,5-dimethylphenyl)pentanoic Acid
- 30098-17-0
- SCHEMBL6207760
- SY364880
-
- Inchi： 1S/C13H18O2/c1-10-7-8-11(2)12(9-10)5-3-4-6-13(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)
- InChI Key： LEHJMQZFHCYCCQ-UHFFFAOYSA-N
- SMILES： OC(CCCCC1C=C(C)C=CC=1C)=O
Computed Properties
- Exact Mass: 206.13074
- Monoisotopic Mass: 206.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 201
- 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: 3.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Benzenepentanoic acid, 2,5-dimethyl- Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
30098-17-0 (Benzenepentanoic acid, 2,5-dimethyl-) Related Products
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- 22084-89-5(3-(2-methylphenyl)propanoic acid)
- 1811-85-4(3-(2,4-Dimethylphenyl)propionic Acid)
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