Cas no 13378-87-5 (1,4-Naphthalenedione,6-ethyl-2,5-dihydroxy-)
13378-87-5 structure
Product Name:1,4-Naphthalenedione,6-ethyl-2,5-dihydroxy-
CAS No:13378-87-5
MF:C12H10O4
MW:218.205403804779
CID:119523
PubChem ID:612788
Update Time:2025-04-18
1,4-Naphthalenedione,6-ethyl-2,5-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione,6-ethyl-2,5-dihydroxy-
- 1,4-NAPHTHOQUINONE,6-ETHYL-
- 2-Hydroxy-6-ethyljuglone
- 6-Ethyl-2,5-dihydroxy-1,4-naphthoquinone
- 6-Ethyl-2,5-dihydroxynaphthalene-1,4-dione
- 13378-87-5
- 6-Ethyl-2,5-dihydroxynaphthoquinone #
- IAOGCOUDTZVSLT-UHFFFAOYSA-N
- 6-ethyl-4,5-dihydroxynaphthalene-1,2-dione
- 1,4-Naphthoquinone, 6-ethyl-2,5-dihydroxy-
-
- Inchi： 1S/C12H10O4/c1-2-6-3-4-7-10(11(6)15)8(13)5-9(14)12(7)16/h3-5,13,15H,2H2,1H3
- InChI Key： PZKNMZDIDHROML-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC2C(C(C=C(C=21)O)=O)=O)CC
Computed Properties
- Exact Mass: 218.058
- Monoisotopic Mass: 218.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 358
- 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: 74.6?2
1,4-Naphthalenedione,6-ethyl-2,5-dihydroxy- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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