Cas no 62870-31-9 (3-Cyclohepten-1-one, 7-ethylidene-)
62870-31-9 structure
Product Name:3-Cyclohepten-1-one, 7-ethylidene-
CAS No:62870-31-9
MF:C9H12O
MW:136.190982818604
CID:429647
PubChem ID:71382144
Update Time:2025-04-19
3-Cyclohepten-1-one, 7-ethylidene- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclohepten-1-one, 7-ethylidene-
- 7-ethylidenecyclohept-3-en-1-one
- DTXSID60804541
- 62870-31-9
-
- Inchi： 1S/C9H12O/c1-2-8-6-4-3-5-7-9(8)10/h2-3,5H,4,6-7H2,1H3
- InChI Key： QHZJSCLVSOEAHC-UHFFFAOYSA-N
- SMILES： O=C1CC=CCCC1=CC
Computed Properties
- Exact Mass: 136.08886
- Monoisotopic Mass: 136.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 187
- 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: 1.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
3-Cyclohepten-1-one, 7-ethylidene- Related Literature
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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