Cas no 50454-26-7 (Benzoic acid, 2-(1,3-dioxobutyl)-)
50454-26-7 structure
Product Name:Benzoic acid, 2-(1,3-dioxobutyl)-
CAS No:50454-26-7
MF:C11H10O4
MW:206.194703578949
CID:364858
PubChem ID:10176631
Update Time:2025-04-19
Benzoic acid, 2-(1,3-dioxobutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-(1,3-dioxobutyl)-
- 2-(3-oxobutanoyl)benzoic acid
- DTXSID80436449
- 50454-26-7
- SCHEMBL9728943
-
- Inchi： 1S/C11H10O4/c1-7(12)6-10(13)8-4-2-3-5-9(8)11(14)15/h2-5H,6H2,1H3,(H,14,15)
- InChI Key： BKBTWHBKJAQJIM-UHFFFAOYSA-N
- SMILES： O=C(CC(C)=O)C1C=CC=CC=1C(=O)O
Computed Properties
- Exact Mass: 206.0579
- Monoisotopic Mass: 206.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 282
- 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: 0.7
- Topological Polar Surface Area: 71.4?2
Experimental Properties
- PSA: 71.44
Benzoic acid, 2-(1,3-dioxobutyl)- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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2. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
50454-26-7 (Benzoic acid, 2-(1,3-dioxobutyl)-) Related Products
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