Cas no 775515-10-1 (2-Hepten-2-ol, (2E)-)
2-Hepten-2-ol, (2E)- structure
Product Name:2-Hepten-2-ol, (2E)-
CAS No:775515-10-1
MF:C7H14O
MW:114.185462474823
CID:552666
Update Time:2024-01-30
2-Hepten-2-ol, (2E)- Chemical and Physical Properties
Names and Identifiers
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- 2-Hepten-2-ol, (2E)-
- 2-Hepten-2-ol, (2E)- (9CI)
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- Inchi： 1S/C7H14O/c1-3-4-5-6-7(2)8/h6,8H,3-5H2,1-2H3/b7-6+
- InChI Key： BMPQHCWCMWIDHD-VOTSOKGWSA-N
- SMILES： C/C(/O)=C\CCCC
Computed Properties
- Exact Mass: 114.10452
- Monoisotopic Mass: 114.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 74.5
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2A^2
Experimental Properties
- Density: 0.845±0.06 g/cm3(Predicted)
- Boiling Point: 162.7±13.0 °C(Predicted)
- PSA: 20.23
- pka: 11.56±0.50(Predicted)
2-Hepten-2-ol, (2E)- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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