Cas no 64779-09-5 (Benzenebutanoic acid,4-heptyl-g-oxo-)
64779-09-5 structure
Product Name:Benzenebutanoic acid,4-heptyl-g-oxo-
CAS No:64779-09-5
MF:C17H24O3
MW:276.370665550232
CID:501194
PubChem ID:2801472
Update Time:2025-04-19
Benzenebutanoic acid,4-heptyl-g-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanoic acid,4-heptyl-g-oxo-
- 4-(4-heptylphenyl)-4-oxobutanoic acid
- 3-(4-Heptylbenzoyl)-propionic acid
- 3-(4-N-HEPTYLBENZOYL)PROPIONIC ACID
- 64779-09-5
- CCG-236299
- MFCD00173761
- 3-(4-heptylbenzoyl)propionic acid
- AB01329950-02
- NCGC00336909-01
- AKOS001482978
- SCHEMBL3145220
- LRAJLMGRXDVQNP-UHFFFAOYSA-N
- 4-(4-HEPTYLPHENYL)-4-OXOBUTANOICACID
- DTXSID40384255
-
- Inchi： 1S/C17H24O3/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)16(18)12-13-17(19)20/h8-11H,2-7,12-13H2,1H3,(H,19,20)
- InChI Key： LRAJLMGRXDVQNP-UHFFFAOYSA-N
- SMILES： O=C(CCC(=O)O)C1C=CC(=CC=1)CCCCCCC
Computed Properties
- Exact Mass: 276.17254462g/mol
- Monoisotopic Mass: 276.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 10
- Complexity: 291
- 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: 5.1
- Topological Polar Surface Area: 54.4?2
Benzenebutanoic acid,4-heptyl-g-oxo- Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
64779-09-5 (Benzenebutanoic acid,4-heptyl-g-oxo-) Related Products
- 2051-95-8(3-Benzoylpropionic acid)
- 36330-85-5(Fenbufen)
- 18847-18-2(Benzenepentanoic acid,4-(1-methylethyl)-d-oxo-)
- 4619-20-9(4-(4-Methylphenyl)-4-oxobutanoic Acid)
- 66147-75-9(7-Oxo-8-phenyloctanoic Acid)
- 1501-05-9(5-Oxo-5-phenylpentanoic acid)
- 1590-22-3(3-(2-Naphthoyl)propionic Acid)
- 7472-43-7(7-Oxo-7-phenylheptanoic acid)
- 49594-75-4(4-Ethyl-γ-oxobenzenebutanoic Acid)
- 4144-62-1(5-Benzoylpentanoic acid)
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