Cas no 17606-93-8 (1-Cyclooctene-1-carboxylicacid, 7-oxo-)
17606-93-8 structure
Product Name:1-Cyclooctene-1-carboxylicacid, 7-oxo-
CAS No:17606-93-8
MF:C9H12O3
MW:168.189783096313
CID:234774
PubChem ID:5381511
Update Time:2025-04-19
1-Cyclooctene-1-carboxylicacid, 7-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1-Cyclooctene-1-carboxylicacid, 7-oxo-
- (1E)-7-oxocyclooctene-1-carboxylic acid
- 7-Oxo-1-cycloocten-carbonsaeure
- 17606-93-8
- NSC119496
- NSC-119496
-
- Inchi： 1S/C9H12O3/c10-8-5-3-1-2-4-7(6-8)9(11)12/h4H,1-3,5-6H2,(H,11,12)/b7-4+
- InChI Key： OGFYPNCPFHPVII-QPJJXVBHSA-N
- SMILES： O=C1CC(C(=O)O)=CCCCC1 |c:6|
Computed Properties
- Exact Mass: 168.07900
- Monoisotopic Mass: 168.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 228
- 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: 0.9
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.184
- Boiling Point: 342.3°Cat760mmHg
- Flash Point: 175°C
- Refractive Index: 1.513
- PSA: 54.37000
- LogP: 1.53060
1-Cyclooctene-1-carboxylicacid, 7-oxo- Related Literature
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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