Cas no 112544-07-7 (4,8-diamino-9,10-dihydroxy-2,3-dihydroanthracene-1,5-dione)
112544-07-7 structure
Product Name:4,8-diamino-9,10-dihydroxy-2,3-dihydroanthracene-1,5-dione
CAS No:112544-07-7
MF:C14H12N2O4
MW:272.256083488464
CID:2609036
PubChem ID:136234187
Update Time:2025-04-21
4,8-diamino-9,10-dihydroxy-2,3-dihydroanthracene-1,5-dione Chemical and Physical Properties
Names and Identifiers
-
- 4,8-diamino-9,10-dihydroxy-2,3-dihydroanthracene-1,5-dione
- DTXSID30550447
- 112544-07-7
-
- Inchi： 1S/C14H12N2O4/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16)10(12)14(11)20/h1,3,16-17,19-20H,2,4,15H2
- InChI Key： WVEVNSZJMXTWIM-UHFFFAOYSA-N
- SMILES： OC1=C2C(=CC=C(C2=C(C2C(CCC(C=21)=O)=N)O)O)N
Computed Properties
- Exact Mass: 272.07970687Da
- Monoisotopic Mass: 272.07970687Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 441
- 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: 1.8
- Topological Polar Surface Area: 128?2
4,8-diamino-9,10-dihydroxy-2,3-dihydroanthracene-1,5-dione Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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