Cas no 107228-95-5 (Benzeneheptanoic acid, 4-hydroxy-)
107228-95-5 structure
Product Name:Benzeneheptanoic acid, 4-hydroxy-
CAS No:107228-95-5
MF:C13H18O3
MW:222.280224323273
CID:1183079
Update Time:2024-08-02
Benzeneheptanoic acid, 4-hydroxy- Chemical and Physical Properties
Names and Identifiers
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- Benzeneheptanoic acid, 4-hydroxy-
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- Inchi： 1S/C13H18O3/c14-12-9-7-11(8-10-12)5-3-1-2-4-6-13(15)16/h7-10,14H,1-6H2,(H,15,16)
- InChI Key： OSCVBUAGOVHHGC-UHFFFAOYSA-N
- SMILES： C1(CCCCCCC(O)=O)=CC=C(O)C=C1
Computed Properties
- Exact Mass: 222.12564
Experimental Properties
- Density: 1.123±0.06 g/cm3(Predicted)
- Boiling Point: 418.8±28.0 °C(Predicted)
- PSA: 57.53
- pka: 4.78±0.10(Predicted)
Benzeneheptanoic acid, 4-hydroxy- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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