Cas no 29366-46-9 (1,4-Naphthalenedione,2-butyl-3-hydroxy-)
29366-46-9 structure
Product Name:1,4-Naphthalenedione,2-butyl-3-hydroxy-
CAS No:29366-46-9
MF:C14H14O3
MW:230.259164333344
CID:271646
PubChem ID:122358
Update Time:2025-04-19
1,4-Naphthalenedione,2-butyl-3-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione,2-butyl-3-hydroxy-
- (3S,7S,8S,9S,10R,13R,14S,17R)-7-hydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
- ZONYJZHBAWFOLS-UHFFFAOYSA-N
- 2-Butyl-3-hydroxynaphthoquinone #
- Oprea1_442014
- 1,4-Naphthalenedione, 2-butyl-3-hydroxy-
- CBDivE_016301
- SR-01000204762
- 29366-46-9
- SR-01000204762-1
- 1,4-Naphthoquinone, 2-butyl-3-hydroxy-
- 3-butyl-4-hydroxynaphthalene-1,2-dione
- DTXSID70276255
- 30137-08-7
- Cambridge id 5325848
-
- Inchi： 1S/C14H14O3/c1-2-3-6-11-12(15)9-7-4-5-8-10(9)13(16)14(11)17/h4-5,7-8,15H,2-3,6H2,1H3
- InChI Key： JHEUCILFBMHLCS-UHFFFAOYSA-N
- SMILES： OC1C2C=CC=CC=2C(C(C=1CCCC)=O)=O
Computed Properties
- Exact Mass: 230.09432
- Monoisotopic Mass: 230.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 368
- 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: 2.7
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.237
- Boiling Point: 385.6°C at 760 mmHg
- Flash Point: 201.2°C
- Refractive Index: 1.593
- PSA: 54.37
1,4-Naphthalenedione,2-butyl-3-hydroxy- Related Literature
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids Cholesterols and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholesterols and derivatives
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