Cas no 31457-17-7 (1-Benzoxepin-9-carboxylic acid, 2,3,4,5-tetrahydro-)
31457-17-7 structure
Product Name:1-Benzoxepin-9-carboxylic acid, 2,3,4,5-tetrahydro-
CAS No:31457-17-7
MF:C11H12O3
MW:192.211183547974
CID:1447315
Update Time:2024-08-24
1-Benzoxepin-9-carboxylic acid, 2,3,4,5-tetrahydro- Chemical and Physical Properties
Names and Identifiers
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- 1-Benzoxepin-9-carboxylic acid, 2,3,4,5-tetrahydro-
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- Inchi： 1S/C11H12O3/c12-11(13)9-6-3-5-8-4-1-2-7-14-10(8)9/h3,5-6H,1-2,4,7H2,(H,12,13)
- InChI Key： ZOXSMUOXHZMFPL-UHFFFAOYSA-N
- SMILES： O1C2=C(C(O)=O)C=CC=C2CCCC1
Computed Properties
- Exact Mass: 192.07866
Experimental Properties
- Density: 1.219±0.06 g/cm3(Predicted)
- Melting Point: 58-59 °C
- Boiling Point: 359.2±31.0 °C(Predicted)
- PSA: 46.53
- pka: 4.28±0.20(Predicted)
1-Benzoxepin-9-carboxylic acid, 2,3,4,5-tetrahydro- Related Literature
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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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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