Cas no 102632-07-5 (2,3-dimethoxy-5-methylnaphthalene-1,4-dione)
102632-07-5 structure
Product Name:2,3-dimethoxy-5-methylnaphthalene-1,4-dione
CAS No:102632-07-5
MF:C13H12O4
MW:232.231984138489
CID:1136038
PubChem ID:13658708
Update Time:2025-04-20
2,3-dimethoxy-5-methylnaphthalene-1,4-dione Chemical and Physical Properties
Names and Identifiers
-
- 2,3-dimethoxy-5-methylnaphthalene-1,4-dione
- DTXSID40546013
- 102632-07-5
- 1,4-Naphthalenedione, 2,3-dimethoxy-5-methyl-
-
- Inchi： 1S/C13H12O4/c1-7-5-4-6-8-9(7)11(15)13(17-3)12(16-2)10(8)14/h4-6H,1-3H3
- InChI Key： BGIBLSNQORNFEG-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C(C2=CC=CC(C)=C2C1=O)=O)OC
Computed Properties
- Exact Mass: 232.07356
- Monoisotopic Mass: 232.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 383
- 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: 2.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
2,3-dimethoxy-5-methylnaphthalene-1,4-dione Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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