Cas no 61495-30-5 (Benzenebutanoic acid, 4-(2-methoxy-2-oxoethyl)-)
61495-30-5 structure
Product Name:Benzenebutanoic acid, 4-(2-methoxy-2-oxoethyl)-
CAS No:61495-30-5
MF:C13H16O4
MW:236.263744354248
CID:477287
PubChem ID:20335252
Update Time:2025-04-19
Benzenebutanoic acid, 4-(2-methoxy-2-oxoethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanoic acid, 4-(2-methoxy-2-oxoethyl)-
- 4-[4-(2-methoxy-2-oxoethyl)phenyl]butanoic acid
- 61495-30-5
- DTXSID60605636
- SCHEMBL11480209
-
- Inchi： 1S/C13H16O4/c1-17-13(16)9-11-7-5-10(6-8-11)3-2-4-12(14)15/h5-8H,2-4,9H2,1H3,(H,14,15)
- InChI Key： IDPJFOHXAMVDLI-UHFFFAOYSA-N
- SMILES： OC(CCCC1C=CC(CC(=O)OC)=CC=1)=O
Computed Properties
- Exact Mass: 236.10488
- Monoisotopic Mass: 236.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 254
- 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: 1.8
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
Benzenebutanoic acid, 4-(2-methoxy-2-oxoethyl)- Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
61495-30-5 (Benzenebutanoic acid, 4-(2-methoxy-2-oxoethyl)-) Related Products
- 78861-25-3(3-OXO-4-P-TOLYL-BUTYRIC ACID METHYL ESTER)
- 37779-49-0(Methyl 3-oxo-4-phenylbutanoate)
- 101689-18-3(Methyl 7-phenylheptanoate)
- 88336-99-6(Benzenepentadecanoicacid, methyl ester)
- 160921-88-0(3-OXO-4-M-TOLYL-BUTYRIC ACID METHYL ESTER)
- 20620-59-1(Methyl 5-Phenylpentanoate)
- 2046-17-5(Methyl 4-Phenylbutyrate)
- 103-25-3(Methyl 3-Phenylpropionate(3-Phenylpropionic Acid Methyl Ester))
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
Recommended suppliers
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
鉅瀾化工科技(青島)有限公司
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Yunnanjiuzhen
Gold Member
Audited Supplier
CN Supplier
Bulk
