Cas no 26878-40-0 (Benzeneacetic acid, a-(1-methylbutyl)-)
26878-40-0 structure
Product Name:Benzeneacetic acid, a-(1-methylbutyl)-
CAS No:26878-40-0
MF:C13H18O2
MW:206.280824184418
CID:283166
PubChem ID:296060
Update Time:2025-04-19
Benzeneacetic acid, a-(1-methylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-(1-methylbutyl)-
- 3-methyl-2-phenylhexanoic acid
- (1-Methylbutyl)phenylessigsaeure
- AC1L6PJJ
- AC1Q2UJF
- CTK8H9239
- NSC165842
- SureCN6237736
- NSC-165842
- DTXSID50304464
- SCHEMBL6237736
- 26878-40-0
-
- Inchi： 1S/C13H18O2/c1-3-7-10(2)12(13(14)15)11-8-5-4-6-9-11/h4-6,8-10,12H,3,7H2,1-2H3,(H,14,15)
- InChI Key： YUNSFLRLJVSMKM-UHFFFAOYSA-N
- SMILES： OC(C(C1C=CC=CC=1)C(C)CCC)=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: 195
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
- LogP: 3.29100
Benzeneacetic acid, a-(1-methylbutyl)- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
26878-40-0 (Benzeneacetic acid, a-(1-methylbutyl)-) Related Products
- 635-51-8(2-phenylbutanedioic acid)
- 68767-14-6(Loxoprofen)
- 3508-94-9(3-Methyl-2-phenylbutanoic Acid)
- 3972-36-9((S)-2-Benzylsuccinic acid)
- 4036-30-0((S)-(+)-Phenylsuccinic acid)
- 77-55-4(1-phenylcyclopentane-1-carboxylic acid)
- 37828-19-6(1-phenylcyclobutane-1-carboxylic acid)
- 90-27-7(2-Phenylbutyric acid)
- 884-33-3(2-Benzylsuccinic acid)
- 15687-27-1(Ibuprofen)
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