Cas no 29366-45-8 (1,4-Naphthalenedione,2-hydroxy-3-propyl-)
29366-45-8 structure
Product Name:1,4-Naphthalenedione,2-hydroxy-3-propyl-
CAS No:29366-45-8
MF:C13H12O3
MW:216.232583999634
CID:284429
PubChem ID:121821
Update Time:2025-04-19
1,4-Naphthalenedione,2-hydroxy-3-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione,2-hydroxy-3-propyl-
- (1R,3R,4R)-2,2,3,4-tetramethylbicyclo[2.2.1]heptan-3-ol
- YLXBHRSUAARBCT-UHFFFAOYSA-N
- CHEMBL1652069
- 29366-45-8
- 2-Hydroxy-3-propylnaphthoquinone #
- 4-hydroxy-3-propylnaphthalene-1,2-dione
- DTXSID30951910
- SCHEMBL9713924
- 1,4-Naphthalenedione, 2-hydroxy-3-propyl-
- 1,4-Naphthoquinone, 2-hydroxy-3-propyl-
-
- Inchi： 1S/C13H12O3/c1-2-5-10-11(14)8-6-3-4-7-9(8)12(15)13(10)16/h3-4,6-7,14H,2,5H2,1H3
- InChI Key： OEBPBHCPSQPAOS-UHFFFAOYSA-N
- SMILES： OC1C2C=CC=CC=2C(C(C=1CCC)=O)=O
Computed Properties
- Exact Mass: 216.07866
- Monoisotopic Mass: 216.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 354
- 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: 2.2
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.274
- Boiling Point: 374.3°C at 760 mmHg
- Flash Point: 194.3°C
- Refractive Index: 1.605
- PSA: 54.37
1,4-Naphthalenedione,2-hydroxy-3-propyl- Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
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
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