Cas no 6337-70-8 ( )
structure
Product Name:
CAS No:6337-70-8
MF:C13H16O3
MW:220.264344215393
CID:960022
PubChem ID:235770
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- ethyl 3-(4-acetylphenyl)propanoate
- 1-Acetyl-4-< 2-ethoxycarbonyl-ethyl> -benzol
- 3-(4-(methylcarbonyl)phenyl)propanoic acid ethyl ester
- 3-(4-acetyl-phenyl)-propionic acid ethyl ester
- 3-(4-Acetyl-phenyl)-propionsaeure-aethylester
- AC1L5V4B
- AC1Q5DXI
- AR-1I8619
- CTK5B8891
- ethyl 3-(4-acetyl)phenylpropanoate
- ethyl 3-(4-ethanoylphenyl)propanoate
- ethyl 3-(p-acetylphenyl)propanoate
- NSC37504
- SureCN6847256
- A837353
- 3-(4-acetylphenyl)propanoic acid ethyl ester
- 6337-70-8
- DTXSID40284509
- DS-011005
- SCHEMBL6847256
- NSC-37504
-
-
- Inchi： 1S/C13H16O3/c1-3-16-13(15)9-6-11-4-7-12(8-5-11)10(2)14/h4-5,7-8H,3,6,9H2,1-2H3
- InChI Key： ZDPAUMPYEXMEMA-UHFFFAOYSA-N
- SMILES： O(CC)C(CCC1C=CC(C(C)=O)=CC=1)=O
Computed Properties
- Exact Mass: 220.10998
- Monoisotopic Mass: 220.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 240
- 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: 2.4
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Related Literature
-
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
-
2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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