Cas no 62267-73-6 (2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-methoxy-)
62267-73-6 structure
Product Name:2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-methoxy-
CAS No:62267-73-6
MF:C7H6O5
MW:170.119542598724
CID:451750
PubChem ID:23532942
Update Time:2025-04-19
2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-methoxy-
- 2,5-dihydroxy-3-methoxycyclohexa-2,5-diene-1,4-dione
- 62267-73-6
- DTXSID50634778
-
- Inchi： 1S/C7H6O5/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2,8,11H,1H3
- InChI Key： JQHHKDPSHCURAE-UHFFFAOYSA-N
- SMILES： O(C)C1C(C(=CC(C=1O)=O)O)=O
Computed Properties
- Exact Mass: 170.02148
- Monoisotopic Mass: 170.02152329g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 310
- 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: -0.1
- Topological Polar Surface Area: 83.8?2
Experimental Properties
- PSA: 83.83
2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-methoxy- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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