Cas no 3117-05-3 (2,3,5-trimethoxycyclohexa-2,5-diene-1,4-dione)
3117-05-3 structure
Product Name:2,3,5-trimethoxycyclohexa-2,5-diene-1,4-dione
CAS No:3117-05-3
MF:C9H10O5
MW:198.172703266144
CID:1452177
PubChem ID:238795
Update Time:2025-04-20
2,3,5-trimethoxycyclohexa-2,5-diene-1,4-dione Chemical and Physical Properties
Names and Identifiers
-
- 2,3,5-trimethoxycyclohexa-2,5-diene-1,4-dione
- AC1L61SB
- trimethoxy-[1,4]benzoquinone
- MLS002608533
- CTK1C2542
- HMS3091M04
- 2,3,5-trimethoxy-1,4-benzoquinone
- NSC43333
- AC1Q6D2P
- p-Benzoquinone, trimethoxy-
- SureCN3413590
- Trimethoxy-[1,4]benzochinon
- AC1L61SB; trimethoxy-[1,4]benzoquinone; MLS002608533; CTK1C2542; HMS3091M04; 2,3,5-trimethoxy-1,4-benzoquinone; NSC43333; AC1Q6D2P; p-Benzoquinone, trimethoxy-; SureCN3413590; Trimethoxy-[1,4]benzochinon;
- NSC-43333
- SMR001527280
- OIMLWOWVDNEGEN-UHFFFAOYSA-N
- SCHEMBL3413590
- BDBM80743
- 2,3,5-trimethoxy-p-benzoquinone
- DTXSID90285965
- cid_238795
- 2,3,5-Trimethoxybenzo-1,4-quinone #
- CHEMBL1706640
- 3117-05-3
-
- Inchi： 1S/C9H10O5/c1-12-6-4-5(10)8(13-2)9(14-3)7(6)11/h4H,1-3H3
- InChI Key： OIMLWOWVDNEGEN-UHFFFAOYSA-N
- SMILES： O(C)C1C(C(=CC(C=1OC)=O)OC)=O
Computed Properties
- Exact Mass: 198.0528
- Monoisotopic Mass: 198.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 337
- 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: 0.2
- Topological Polar Surface Area: 61.8?2
Experimental Properties
- Density: 1.25
- Boiling Point: 384.6°C at 760 mmHg
- Flash Point: 175.2°C
- Refractive Index: 1.496
- PSA: 61.83
- LogP: 0.17290
2,3,5-trimethoxycyclohexa-2,5-diene-1,4-dione Related Literature
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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