Cas no 756900-91-1 (1,2-Benzenediol, 3-(2-quinolinyl)-)
756900-91-1 structure
Product Name:1,2-Benzenediol, 3-(2-quinolinyl)-
CAS No:756900-91-1
MF:C15H11NO2
MW:237.253343820572
CID:539137
PubChem ID:135409929
Update Time:2025-04-19
1,2-Benzenediol, 3-(2-quinolinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol, 3-(2-quinolinyl)-
- 2-hydroxy-6-(1H-quinolin-2-ylidene)cyclohexa-2,4-dien-1-one
- DTXSID70710240
- 2-Hydroxy-6-(quinolin-2(1H)-ylidene)cyclohexa-2,4-dien-1-one
- 3-(QUINOLIN-2-YL)BENZENE-1,2-DIOL
- 756900-91-1
-
- Inchi： 1S/C15H11NO2/c17-14-7-3-5-11(15(14)18)13-9-8-10-4-1-2-6-12(10)16-13/h1-9,17-18H
- InChI Key： ICCXBEIMPOMWON-UHFFFAOYSA-N
- SMILES： OC1C(=CC=CC=1C1C=CC2C=CC=CC=2N=1)O
Computed Properties
- Exact Mass: 237.07903
- Monoisotopic Mass: 237.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 497
- 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
- Topological Polar Surface Area: 49.3A^2
- XLogP3: 3.2
Experimental Properties
- PSA: 53.35
1,2-Benzenediol, 3-(2-quinolinyl)- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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