Cas no 6414-42-2 (9,10-Anthracenedione, 1,3,8-trimethoxy-6-methyl-)
6414-42-2 structure
Product Name:9,10-Anthracenedione, 1,3,8-trimethoxy-6-methyl-
CAS No:6414-42-2
MF:C18H16O5
MW:312.316645622253
CID:424889
PubChem ID:7330510
Update Time:2025-04-19
9,10-Anthracenedione, 1,3,8-trimethoxy-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedione, 1,3,8-trimethoxy-6-methyl-
- 1,3,8-trimethoxy-6-methylanthracene-9,10-dione
- SCHEMBL9878243
- 1,3,8-trimethoxy-6-methyl-9,10-anthraquinone
- CHEMBL428867
- 6414-42-2
- DTXSID40428542
-
- Inchi： 1S/C18H16O5/c1-9-5-11-15(13(6-9)22-3)18(20)16-12(17(11)19)7-10(21-2)8-14(16)23-4/h5-8H,1-4H3
- InChI Key： HICKZJMJOXACIR-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(C)=CC2C(C3C=C(C=C(C=3C(C=21)=O)OC)OC)=O
Computed Properties
- Exact Mass: 312.09978
- Monoisotopic Mass: 312.09977361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 476
- 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: 3.1
- Topological Polar Surface Area: 61.8?2
Experimental Properties
- PSA: 61.83
9,10-Anthracenedione, 1,3,8-trimethoxy-6-methyl- Related Literature
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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