Cas no 921623-07-6 (4-[(But-2-en-1-yl)oxy]benzoic acid)
![4-[(But-2-en-1-yl)oxy]benzoic acid structure](https://ossimg.kuujia.com/scimg/922000/921623-07-6x500.png)
921623-07-6 structure
Product Name:4-[(But-2-en-1-yl)oxy]benzoic acid
CAS No:921623-07-6
MF:C11H12O3
MW:192.211183547974
CID:743758
PubChem ID:53724241
Update Time:2024-03-01
4-[(But-2-en-1-yl)oxy]benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-[(2E)-2-buten-1-yloxy]-
- 4-but-2-enoxybenzoic acid
- 4-[(But-2-en-1-yl)oxy]benzoic acid
-
- Inchi： 1S/C11H12O3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h2-7H,8H2,1H3,(H,12,13)
- InChI Key： CXZNAWXMFFOKPP-UHFFFAOYSA-N
- SMILES： O(CC=CC)C1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 192.078644241g/mol
- Monoisotopic Mass: 192.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 203
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.8
- Topological Polar Surface Area: 46.5
4-[(But-2-en-1-yl)oxy]benzoic acid Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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