Cas no 152841-82-2 (2,3,5-Phenanthrenetriol,9,10-dihydro-4-methoxy-)
152841-82-2 structure
Product Name:2,3,5-Phenanthrenetriol,9,10-dihydro-4-methoxy-
CAS No:152841-82-2
MF:C15H14O4
MW:258.269264698029
CID:161050
Update Time:2024-03-01
2,3,5-Phenanthrenetriol,9,10-dihydro-4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2,3,5-Phenanthrenetriol,9,10-dihydro-4-methoxy-
- EphemerantholC
- 2,3,5-Phenanthrenetriol, 9,10-dihydro-4-methoxy-
-
- Inchi： 1S/C15H14O4/c1-19-15-13-9(7-11(17)14(15)18)6-5-8-3-2-4-10(16)12(8)13/h2-4,7,16-18H,5-6H2,1H3
- InChI Key： LOICISWPCCICIA-UHFFFAOYSA-N
- SMILES： C1=C2C(C3=C(CC2)C=CC=C3O)=C(OC)C(O)=C1O
Computed Properties
- Exact Mass: 258.089
- Monoisotopic Mass: 258.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 321
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 69.9A^2
- XLogP3: 1.989
Experimental Properties
- Density: 1.393±0.06 g/cm3(Predicted)
- Boiling Point: 538.3±50.0 °C(Predicted)
- pka: 9.38±0.20(Predicted)
2,3,5-Phenanthrenetriol,9,10-dihydro-4-methoxy- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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