Cas no 75909-63-6 ( )
structure
Product Name:
CAS No:75909-63-6
MF:C15H14O2
MW:226.270464420319
CID:982119
PubChem ID:335803
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-ethyl-3-prop-2-enylnaphthalene-1,4-dione
- 2-Allyl-3-ethyl-1,4-naphthochinon
- 2-ethyl-3-(3-propenyl)-1,4-naphthoquinone
- AC1L7IA5
- NSC347110
- 75909-63-6
- NSC-347110
- DTXSID70319555
- DS-004069
- 2-Ethyl-3-prop-2-enyl-naphthalene-1,4-dione
-
-
- Inchi： 1S/C15H14O2/c1-3-7-11-10(4-2)14(16)12-8-5-6-9-13(12)15(11)17/h3,5-6,8-9H,1,4,7H2,2H3
- InChI Key： BZVSCOJVRSDRDH-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2C(C(CC=C)=C1CC)=O
Computed Properties
- Exact Mass: 226.09942
- Monoisotopic Mass: 226.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 390
- 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: 2.9
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
- LogP: 3.34830
Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
4. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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