Cas no 135901-81-4 (3-Acetyl-4-propoxybenzoic acid)
135901-81-4 structure
Product Name:3-Acetyl-4-propoxybenzoic acid
CAS No:135901-81-4
MF:C12H14O4
MW:222.237164020538
CID:2113385
Update Time:2023-08-04
3-Acetyl-4-propoxybenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 3-acetyl-4-propoxyBenzoic acid
- 3-Acetyl-4-propoxy-benzoic acid
- 3-Acetyl-4-propoxybenzoic acid
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- Inchi： 1S/C12H14O4/c1-3-6-16-11-5-4-9(12(14)15)7-10(11)8(2)13/h4-5,7H,3,6H2,1-2H3,(H,14,15)
- InChI Key： NVXAMXHFYNMGND-UHFFFAOYSA-N
- SMILES： O(CCC)C1C=CC(C(=O)O)=CC=1C(C)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 262
- Topological Polar Surface Area: 63.6
3-Acetyl-4-propoxybenzoic acid Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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