Cas no 65189-79-9 (Benzenepropanoic acid, b-methyl-4-(3-methylbutyl)-)
65189-79-9 structure
Product Name:Benzenepropanoic acid, b-methyl-4-(3-methylbutyl)-
CAS No:65189-79-9
MF:C15H22O2
MW:234.333984851837
CID:519224
PubChem ID:182473
Update Time:2025-04-19
Benzenepropanoic acid, b-methyl-4-(3-methylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, b-methyl-4-(3-methylbutyl)-
- 3-[4-(3-methylbutyl)phenyl]butanoic acid
-
- Inchi： 1S/C15H22O2/c1-11(2)4-5-13-6-8-14(9-7-13)12(3)10-15(16)17/h6-9,11-12H,4-5,10H2,1-3H3,(H,16,17)
- InChI Key： ANHVCHYRRRCGAF-UHFFFAOYSA-N
- SMILES： OC(CC(C)C1C=CC(=CC=1)CCC(C)C)=O
Computed Properties
- Exact Mass: 234.16206
- Monoisotopic Mass: 234.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 227
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Benzenepropanoic acid, b-methyl-4-(3-methylbutyl)- Related Literature
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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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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
65189-79-9 (Benzenepropanoic acid, b-methyl-4-(3-methylbutyl)-) Related Products
- 606-83-7(3,3-Diphenylpropionic acid)
- 4521-22-6(4-(p-Tolyl)butyric acid)
- 5581-75-9(6-Phenylhexanoic acid)
- 3972-36-9((S)-2-Benzylsuccinic acid)
- 900-91-4(3,3,3-Triphenylpropionic acid)
- 1010-48-6(3-Methyl-3-phenylbutanoic acid)
- 1821-12-1(4-Phenylbutyric acid)
- 2270-20-4(5-Phenylvaleric acid)
- 884-33-3(2-Benzylsuccinic acid)
- 26547-51-3(8-Phenyloctanoic acid)
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