Cas no 64451-68-9 (Benzeneacetic acid,4-(2-methylbutyl)-)
64451-68-9 structure
Product Name:Benzeneacetic acid,4-(2-methylbutyl)-
CAS No:64451-68-9
MF:C13H18O2
MW:206.280824184418
CID:499888
PubChem ID:21322797
Update Time:2025-04-19
Benzeneacetic acid,4-(2-methylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,4-(2-methylbutyl)-
- Benzeneacetic acid, 4-(2-methylbutyl)- (9CI)
- Aceticacid, [p-(2-methylbutyl)phenyl]- (7CI)
- p-(2-Methylbutyl)phenylacetic acid
- 64451-68-9
- [4-(2-Methylbutyl)phenyl]acetic acid
- SCHEMBL11528750
-
- Inchi： 1S/C13H18O2/c1-3-10(2)8-11-4-6-12(7-5-11)9-13(14)15/h4-7,10H,3,8-9H2,1-2H3,(H,14,15)
- InChI Key： UXHSGVDWKGIYHU-UHFFFAOYSA-N
- SMILES： OC(CC1C=CC(=CC=1)CC(C)CC)=O
Computed Properties
- Exact Mass: 206.13074
- Monoisotopic Mass: 206.131
- 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
- Topological Polar Surface Area: 37.3A^2
- XLogP3: 3.5
Experimental Properties
- PSA: 37.3
Benzeneacetic acid,4-(2-methylbutyl)- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
64451-68-9 (Benzeneacetic acid,4-(2-methylbutyl)-) Related Products
- 14377-19-6((4-Butylphenyl)acetic acid)
- 14377-21-0(2-(4-Pentylphenyl)acetic acid)
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- 1553-60-2(2-[4-(2-methylpropyl)phenyl]acetic acid)
- 64570-28-1(2-(4-Octylphenyl)acetic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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