Cas no 14377-20-9 (Benzeneacetic acid,4-(3-methylbutyl)-)
14377-20-9 structure
Product Name:Benzeneacetic acid,4-(3-methylbutyl)-
CAS No:14377-20-9
MF:C13H18O2
MW:206.280824184418
CID:120374
PubChem ID:21063799
Update Time:2025-04-18
Benzeneacetic acid,4-(3-methylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,4-(3-methylbutyl)-
- Benzeneacetic acid, 4-(3-methylbutyl)- (9CI)
- 2-(4-isopentylphenyl)acetic acid
- SCHEMBL105022
- 14377-20-9
-
- Inchi： 1S/C13H18O2/c1-10(2)3-4-11-5-7-12(8-6-11)9-13(14)15/h5-8,10H,3-4,9H2,1-2H3,(H,14,15)
- InChI Key： JCAFZOXHJLOMFC-UHFFFAOYSA-N
- SMILES： OC(CC1C=CC(=CC=1)CCC(C)C)=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: 191
- 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: 3.6
- Topological Polar Surface Area: 37.3A^2
Experimental Properties
- PSA: 37.3
Benzeneacetic acid,4-(3-methylbutyl)- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
14377-20-9 (Benzeneacetic acid,4-(3-methylbutyl)-) Related Products
- 14377-19-6((4-Butylphenyl)acetic acid)
- 14377-21-0(2-(4-Pentylphenyl)acetic acid)
- 26114-12-5(4-N-PROPYLPHENYLACETIC ACID)
- 1553-60-2(2-[4-(2-methylpropyl)phenyl]acetic acid)
- 64570-28-1(2-(4-Octylphenyl)acetic acid)
- 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)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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