Cas no 64451-69-0 (Benzeneacetic acid,4-(1-methylbutyl)-)
64451-69-0 structure
Product Name:Benzeneacetic acid,4-(1-methylbutyl)-
CAS No:64451-69-0
MF:C13H18O2
MW:206.280824184418
CID:499887
PubChem ID:45117192
Update Time:2025-04-19
Benzeneacetic acid,4-(1-methylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,4-(1-methylbutyl)-
- Aceticacid, [p-(1-methylbutyl)phenyl]- (7CI)
- Benzeneacetic acid, 4-(1-methylbutyl)- (9CI)
- 64451-69-0
- [4-(2-Pentanyl)phenyl]acetic acid
-
- Inchi： 1S/C13H18O2/c1-3-4-10(2)12-7-5-11(6-8-12)9-13(14)15/h5-8,10H,3-4,9H2,1-2H3,(H,14,15)
- InChI Key： PJLZUWYPRLYXLO-UHFFFAOYSA-N
- SMILES： OC(CC1C=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: 193
- 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: 3.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Benzeneacetic acid,4-(1-methylbutyl)- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
64451-69-0 (Benzeneacetic acid,4-(1-methylbutyl)-) Related Products
- 14377-19-6((4-Butylphenyl)acetic acid)
- 40641-90-5(2-(4-Cyclopropylphenyl)acetic acid)
- 14377-21-0(2-(4-Pentylphenyl)acetic acid)
- 51146-56-6((S)-(+)-Ibuprofen)
- 66622-47-7(m-Isobutyl Ibuprofen)
- 51146-57-7((R)-(-)-Ibuprofen)
- 3585-49-7(p-Butyl Ibuprofen)
- 1553-60-2(2-[4-(2-methylpropyl)phenyl]acetic acid)
- 121662-14-4(Ibuprofen-d)
- 15687-27-1(Ibuprofen)
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