Cas no 52280-69-0 (1,4-Naphthalenedione, 2-hydroxy-6,7-dimethyl- (9CI))
52280-69-0 structure
Product Name:1,4-Naphthalenedione, 2-hydroxy-6,7-dimethyl- (9CI)
CAS No:52280-69-0
MF:C12H10O3
MW:202.206003665924
CID:854779
PubChem ID:11063485
Update Time:2025-04-19
1,4-Naphthalenedione, 2-hydroxy-6,7-dimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione, 2-hydroxy-6,7-dimethyl- (9CI)
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- Inchi： 1S/C12H10O3/c1-6-3-8-9(4-7(6)2)12(15)11(14)5-10(8)13/h3-5,13H,1-2H3
- InChI Key： SXPDHLAFZGKHML-UHFFFAOYSA-N
- SMILES： OC1=CC(C(C2=CC(C)=C(C)C=C21)=O)=O
Computed Properties
- Exact Mass: 202.062994177g/mol
- Monoisotopic Mass: 202.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 343
- 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
- XLogP3: 1.6
- Topological Polar Surface Area: 54.4?2
1,4-Naphthalenedione, 2-hydroxy-6,7-dimethyl- (9CI) Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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