Cas no 36417-19-3 (1,4-Naphthalenedione,2-(2-cyclopentylideneethyl)-3-hydroxy-)
36417-19-3 structure
Product Name:1,4-Naphthalenedione,2-(2-cyclopentylideneethyl)-3-hydroxy-
CAS No:36417-19-3
MF:C17H16O3
MW:268.307145118713
CID:320096
PubChem ID:280566
Update Time:2025-04-19
1,4-Naphthalenedione,2-(2-cyclopentylideneethyl)-3-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione,2-(2-cyclopentylideneethyl)-3-hydroxy-
- 3-(2-cyclopentylideneethyl)-4-hydroxynaphthalene-1,2-dione
- AC1L5SLF
- AC1Q6IYI
- AG-J-84034
- AR-1E6217
- CTK4H6439
- NSC132321
- NSC-132321
- 36417-19-3
- DTXSID30299728
-
- Inchi： 1S/C17H16O3/c18-15-12-7-3-4-8-13(12)16(19)17(20)14(15)10-9-11-5-1-2-6-11/h3-4,7-9,18H,1-2,5-6,10H2
- InChI Key： NEEQNEOQOTUXKS-UHFFFAOYSA-N
- SMILES： OC1C2C=CC=CC=2C(C(C=1C/C=C1\CCCC\1)=O)=O
Computed Properties
- Exact Mass: 268.10998
- Monoisotopic Mass: 268.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 490
- 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: 2.8
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.358
- Boiling Point: 450.2°C at 760 mmHg
- Flash Point: 240.2°C
- Refractive Index: 1.701
- PSA: 54.37
- LogP: 3.76820
1,4-Naphthalenedione,2-(2-cyclopentylideneethyl)-3-hydroxy- Related Literature
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Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
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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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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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