Cas no 6938-63-2 (Benzenebutanoic acid, a-acetyl-g-oxo-a-(phenylmethyl)-, ethyl ester)
6938-63-2 structure
Product Name:Benzenebutanoic acid, a-acetyl-g-oxo-a-(phenylmethyl)-, ethyl ester
CAS No:6938-63-2
MF:C21H22O4
MW:338.396986484528
CID:506618
PubChem ID:413973
Update Time:2025-04-19
Benzenebutanoic acid, a-acetyl-g-oxo-a-(phenylmethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanoic acid, a-acetyl-g-oxo-a-(phenylmethyl)-, ethyl ester
- ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate
- AC1L96OR
- ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutyrate
- NSC53988
- DTXSID10328787
- 6938-63-2
- NSC-53988
-
- Inchi： 1S/C21H22O4/c1-3-25-20(24)21(16(2)22,14-17-10-6-4-7-11-17)15-19(23)18-12-8-5-9-13-18/h4-13H,3,14-15H2,1-2H3
- InChI Key： ZGRWQNOZOVODNL-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(C)=O)(CC(C1C=CC=CC=1)=O)CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 338.15186
- Monoisotopic Mass: 338.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 9
- Complexity: 472
- 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: 3.5
- Topological Polar Surface Area: 60.4?2
Experimental Properties
- PSA: 60.44
- LogP: 3.64060
Benzenebutanoic acid, a-acetyl-g-oxo-a-(phenylmethyl)-, ethyl ester Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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