Cas no 481-40-3 (naphthalene-1,4,5-triol)
naphthalene-1,4,5-triol structure
Product Name:naphthalene-1,4,5-triol
naphthalene-1,4,5-triol Chemical and Physical Properties
Names and Identifiers
-
- naphthalene-1,4,5-triol
- UNII-41I30K2F5W
- EINECS 207-568-0
- DTXCID1012759
- CHEMBL1331245
- NHEVNUARLCWEED-UHFFFAOYSA-N
- 1,4,5-Naphthalenetriol
- CHEBI:173810
- 41I30K2F5W
- Tox21_201120
- CAS-481-40-3
- SCHEMBL2407577
- 4,5-DIHYDROXY-.ALPHA.-NAPHTHOL
- a-Hydrojuglone
- DTXSID3032759
- NCGC00258672-01
- NCGC00091508-01
- alpha-Hydrojuglone
- 1,4,5-Trihydroxynaphthalene
- NCGC00091508-02
- 481-40-3
- Q27258440
- NS00031767
-
- Inchi： 1S/C10H8O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,11-13H
- InChI Key： NHEVNUARLCWEED-UHFFFAOYSA-N
- SMILES： OC1C2C(=C(C=CC=2)O)C(O)=CC=1
Computed Properties
- Exact Mass: 176.04734
- Monoisotopic Mass: 176.047344113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 183
- 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
- Surface Charge: 0
- Tautomer Count: 38
- XLogP3: nothing
- Topological Polar Surface Area: 60.7?2
Experimental Properties
- PSA: 60.69
naphthalene-1,4,5-triol Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
481-40-3 (naphthalene-1,4,5-triol) Related Products
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- 476-60-8(Anthracene-1,4,9,10-tetraol)
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