Cas no 4139-69-9 ( )
structure
Product Name:
CAS No:4139-69-9
MF:C19H12O4
MW:304.296185493469
CID:926940
PubChem ID:322716
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 3-[(2-oxochromen-3-yl)methyl]chromen-2-one
- NSC 280825
- SCHEMBL13612673
- 4139-69-9
- NSC-280825
- AKOS000277507
- biscoumarinyl methane
- NSC280825
- DTXSID40314138
- DS-013994
-
-
- Inchi： 1S/C19H12O4/c20-18-14(9-12-5-1-3-7-16(12)22-18)11-15-10-13-6-2-4-8-17(13)23-19(15)21/h1-10H,11H2
- InChI Key： KTQDOEYBWTZRKE-UHFFFAOYSA-N
- SMILES： O1C(C(=CC2C=CC=CC1=2)CC1C(=O)OC2C=CC=CC=2C=1)=O
Computed Properties
- Exact Mass: 304.07356
- Monoisotopic Mass: 304.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 524
- 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: 3.8
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.359
- Boiling Point: 537.1°C at 760 mmHg
- Flash Point: 283.9°C
- Refractive Index: 1.655
- PSA: 52.6
Related Literature
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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