Cas no 4647-42-1 (1H-Indene-1,2-diol,2,3-dihydro-, (1R,2S)-rel-)
4647-42-1 structure
Product Name:1H-Indene-1,2-diol,2,3-dihydro-, (1R,2S)-rel-
1H-Indene-1,2-diol,2,3-dihydro-, (1R,2S)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indene-1,2-diol,2,3-dihydro-, (1R,2S)-rel-
- 1,2-DIHYDROXYINDANE
- CIS-1,2-INDANE DIOL
- 1,2-Indandiol,cis
- cis-1,2-Indandiol
- cis-Indan-1,2-diol
- CIS-INDANE-1,2-DIOL
- Indan,1,2-dihydroxy-,cis
- Indane-1,2-diol
- CIS-1,2-INDANEDIOL
- Indan, 1,2-dihydroxy-, cis-
- 1,2-Indandiol, cis-
- 4647-42-1
- cis-1,2-in-dandiol
- SCHEMBL783223
- J-500309
- (1R,2S)-2,3-dihydro-1H-indene-1,2-diol
- cis-2,3-Dihydro-1H-indene-1,2-diol
- 1H-Indene-1,2-diol, 2,3-dihydro-, cis-
-
- Inchi： 1S/C9H10O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-11H,5H2/t8-,9+/m0/s1
- InChI Key： YKXXBEOXRPZVCC-DTWKUNHWSA-N
- SMILES： O[C@H]1CC2C=CC=CC=2[C@H]1O
Computed Properties
- Exact Mass: 150.06800
- Monoisotopic Mass: 150.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 147
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.5A^2
- XLogP3: 0.5
Experimental Properties
- Density: 1.334
- Boiling Point: 288.5 °C at 760 mmHg
- Flash Point: 142.8 °C
- Refractive Index: 1.661
- PSA: 40.46000
- LogP: 0.63700
1H-Indene-1,2-diol,2,3-dihydro-, (1R,2S)-rel- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
4647-42-1 (1H-Indene-1,2-diol,2,3-dihydro-, (1R,2S)-rel-) Related Products
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