Cas no 104013-09-4 (Bicyclo[2.2.1]hept-5-en-2-ol,3-ethenyl-, (1R,2R,3S,4S)-rel-)
104013-09-4 structure
Product Name:Bicyclo[2.2.1]hept-5-en-2-ol,3-ethenyl-, (1R,2R,3S,4S)-rel-
CAS No:104013-09-4
MF:C9H12O
MW:136.190982818604
CID:179419
PubChem ID:145407
Update Time:2025-04-19
Bicyclo[2.2.1]hept-5-en-2-ol,3-ethenyl-, (1R,2R,3S,4S)-rel- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[2.2.1]hept-5-en-2-ol,3-ethenyl-, (1R,2R,3S,4S)-rel-
- 2-ethenylbicyclo[2.2.1]hept-5-en-3-ol
- Bicyclo(2.2.1)hept-5-en-2-ol, 3-ethenyl-, (exo)-
- 3-ethenylbicyclo[2.2.1]hept-5-en-2-ol
- Bicyclo[2.2.1]hept-5-en-2-ol, 3-ethenyl-, (exo)-
- 104013-09-4
- SCHEMBL13390555
- DTXSID80908717
-
- Inchi: 1S/C9H12O/c1-2-8-6-3-4-7(5-6)9(8)10/h2-4,6-10H,1,5H2
- InChI Key: NTIDMOBOUNQJEP-UHFFFAOYSA-N
- SMILES: OC1C(C=C)C2C=CC1C2
Computed Properties
- Exact Mass: 136.08886
- Monoisotopic Mass: 136.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 183
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 1.17
- Boiling Point: 183.9°Cat760mmHg
- Flash Point: 70°C
- Refractive Index: 1.647
- PSA: 20.23
Bicyclo[2.2.1]hept-5-en-2-ol,3-ethenyl-, (1R,2R,3S,4S)-rel- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
104013-09-4 (Bicyclo[2.2.1]hept-5-en-2-ol,3-ethenyl-, (1R,2R,3S,4S)-rel-) Related Products
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