Cas no 56052-14-3 (Heptanoic acid, phenyl ester)
Heptanoic acid, phenyl ester structure
Product Name:Heptanoic acid, phenyl ester
CAS No:56052-14-3
MF:C13H18O2
MW:206.280824184418
CID:349969
PubChem ID:521712
Update Time:2025-04-19
Heptanoic acid, phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Heptanoic acid, phenyl ester
- phenyl heptanoate
- DTXSID40334715
- Phenyl enanthate
- phenylheptanoate
- SCHEMBL539126
- Phenyl heptanoate #
- 56052-14-3
-
- Inchi： 1S/C13H18O2/c1-2-3-4-8-11-13(14)15-12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
- InChI Key： USVUMWSMZMQXIZ-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C(CCCCCC)=O
Computed Properties
- Exact Mass: 206.13074
- Monoisotopic Mass: 206.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 171
- 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: 4.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Heptanoic acid, phenyl ester Related Literature
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
56052-14-3 (Heptanoic acid, phenyl ester) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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