Cas no 16358-93-3 (Benzoic acid, 4-(1-oxobutoxy)-)
16358-93-3 structure
Product Name:Benzoic acid, 4-(1-oxobutoxy)-
CAS No:16358-93-3
MF:C11H12O4
MW:208.210583686829
CID:1346983
PubChem ID:23223809
Update Time:2025-04-20
Benzoic acid, 4-(1-oxobutoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(1-oxobutoxy)-
- 16358-93-3
- DTXSID401310507
- SCHEMBL6562062
- 4-(1-Oxobutoxy)benzoic acid
-
- Inchi： 1S/C11H12O4/c1-2-3-10(12)15-9-6-4-8(5-7-9)11(13)14/h4-7H,2-3H2,1H3,(H,13,14)
- InChI Key： AFWLZUDFOYMCBF-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C(=O)O)=CC=1)C(CCC)=O
Computed Properties
- Exact Mass: 208.07356
- Monoisotopic Mass: 208.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 229
- 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
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
Benzoic acid, 4-(1-oxobutoxy)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
16358-93-3 (Benzoic acid, 4-(1-oxobutoxy)-) Related Products
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