Cas no 186494-94-0 (1-Cycloheptene-1-carboxylicacid, 7-oxo-)
186494-94-0 structure
Product Name:1-Cycloheptene-1-carboxylicacid, 7-oxo-
CAS No:186494-94-0
MF:C8H10O3
MW:154.163202762604
CID:114826
PubChem ID:45084796
Update Time:2025-04-18
1-Cycloheptene-1-carboxylicacid, 7-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1-Cycloheptene-1-carboxylicacid, 7-oxo-
- 7-oxocycloheptene-1-carboxylic acid
- 1-Cycloheptene-1-carboxylicacid,7-oxo-(9CI)
- 7-Oxocyclohept-1-ene-1-carboxylic acid
- DTXSID20665711
- 186494-94-0
-
- Inchi： 1S/C8H10O3/c9-7-5-3-1-2-4-6(7)8(10)11/h4H,1-3,5H2,(H,10,11)
- InChI Key： HMYOZMIMGQYPLD-UHFFFAOYSA-N
- SMILES： O=C1C(C(=O)O)=CCCCC1
Computed Properties
- Exact Mass: 154.063
- Monoisotopic Mass: 154.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 215
- 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
- Topological Polar Surface Area: 54.4A^2
- XLogP3: 1.7
1-Cycloheptene-1-carboxylicacid, 7-oxo- Related Literature
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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
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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