Cas no 56409-75-7 (Benzenepropanoic acid, b-oxo-a-(phenylmethyl)-, ethyl ester)
56409-75-7 structure
Product Name:Benzenepropanoic acid, b-oxo-a-(phenylmethyl)-, ethyl ester
CAS No:56409-75-7
MF:C18H18O3
MW:282.333725452423
CID:377554
PubChem ID:91844
Update Time:2025-04-19
Benzenepropanoic acid, b-oxo-a-(phenylmethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, b-oxo-a-(phenylmethyl)-, ethyl ester
- ethyl 2-benzyl-3-oxo-3-phenylpropanoate
- 2-benzyl benzoylacetate d'ethyle
- 2-benzyl-3-oxo-3-phenylpropionic acid ethyl ester
- 2-benzyl-3-oxo-3-phenyl-propionic acid ethyl ester
- AC1L3MWY
- AC1Q5ES6
- AR-1I8319
- CTK8D9171
- EINECS 260-162-5
- ethyl 2-benzoylhydrocinnamate
- Ethyl 2-benzylbenzoylacetate
- ethyl benzylbenzoylacetate
- NCIOpen2_006953
- SureCN6250712
- KSTSKHKQRFGSJH-UHFFFAOYSA-N
- Ethyl beta-oxo-alpha-(phenylmethyl)benzenepropanoate
- SCHEMBL6250712
- A-oxo-
- 56409-75-7
- NS00055067
- NSC 101558
- DTXSID501250629
- benzylbenzoylacetic acid ethyl ester
- Ethyl
- A-(phenylmethyl)benzenepropanoate
- NSC-101558
- AMY32201
- 4-(AZEPANE-1-SULFONYL)-BENZOICACID
- NSC101558
-
- Inchi： 1S/C18H18O3/c1-2-21-18(20)16(13-14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
- InChI Key： KSTSKHKQRFGSJH-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(C1C=CC=CC=1)=O)CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 282.12564
- Monoisotopic Mass: 282.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- Complexity: 338
- 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
- XLogP3: 4.2
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
- LogP: 3.29130
Benzenepropanoic acid, b-oxo-a-(phenylmethyl)-, ethyl ester Related Literature
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
56409-75-7 (Benzenepropanoic acid, b-oxo-a-(phenylmethyl)-, ethyl ester) Related Products
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