Cas no 73726-67-7 (1,4,5-trihydroxy-7-methoxy-2,3-dimethylanthracene-9,10-dione)
73726-67-7 structure
Product Name:1,4,5-trihydroxy-7-methoxy-2,3-dimethylanthracene-9,10-dione
CAS No:73726-67-7
MF:C17H14O6
MW:314.289465427399
CID:1765898
PubChem ID:442767
Update Time:2025-04-21
1,4,5-trihydroxy-7-methoxy-2,3-dimethylanthracene-9,10-dione Chemical and Physical Properties
Names and Identifiers
-
- 1,4,5-trihydroxy-7-methoxy-2,3-dimethylanthracene-9,10-dione
- 1,4,5-Trihydroxy-7-methoxy-2,3-dimethylanthraquinone
- Ventinone A
- C10407
- Q27108526
- DTXSID00331942
- 73726-67-7
- SCHEMBL16226194
- AC1L9DDN
- CHEBI:9945
- 1,4,5-trihydroxy-7-methoxy-2,3-dimethyl-anthracene-9,10-dione
-
- Inchi： 1S/C17H14O6/c1-6-7(2)15(20)13-12(14(6)19)16(21)9-4-8(23-3)5-10(18)11(9)17(13)22/h4-5,18-20H,1-3H3
- InChI Key： LYCLASMOMOWSCE-UHFFFAOYSA-N
- SMILES： OC1C(C)=C(C)C(=C2C(C3C=C(C=C(C=3C(C2=1)=O)O)OC)=O)O
Computed Properties
- Exact Mass: 314.07903816g/mol
- Monoisotopic Mass: 314.07903816g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 505
- 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: 3.6
- Topological Polar Surface Area: 104?2
1,4,5-trihydroxy-7-methoxy-2,3-dimethylanthracene-9,10-dione Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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