Cas no 7460-87-9 (butyl 2-oxo-2H-chromene-3-carboxylate)
7460-87-9 structure
Product Name:butyl 2-oxo-2H-chromene-3-carboxylate
butyl 2-oxo-2H-chromene-3-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- butyl 2-oxo-2H-chromene-3-carboxylate
- butyl 2-oxochromene-3-carboxylate
- 2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 2-OXO-, BUTYL ESTER
- 2-Oxo-2H-1-benzopyran-3-carboxylic acid butyl ester
- 2-Oxo-2H-chromen-3-carbonsaeure-butylester
- 2-oxo-2H-chromene-3-carboxylic acid butyl ester
- AG-205
- AG-G-96752
- AI3-03579
- BRN 0228192
- Butyl coumarin-3-carboxylate
- Butylcoumarin-3-carboxylat
- Butylcumarin-3-carboxylat
- SR-01000516069
- DTXSID20225576
- AG-205/36915314
- NSC 404236
- NSC-404236
- SR-01000516069-1
- 7460-87-9
- H6ZG79VP13
- UNII-H6ZG79VP13
- NSC404236
- AKOS001718678
- SCHEMBL4905483
-
- Inchi： 1S/C14H14O4/c1-2-3-8-17-13(15)11-9-10-6-4-5-7-12(10)18-14(11)16/h4-7,9H,2-3,8H2,1H3
- InChI Key： DNSDRVXHFSEQRO-UHFFFAOYSA-N
- SMILES： O(C(C1C(=O)OC2C=CC=CC=2C=1)=O)CCCC
Computed Properties
- Exact Mass: 246.08922
- Monoisotopic Mass: 246.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 359
- 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
- Topological Polar Surface Area: 52.6A^2
- XLogP3: 3.2
Experimental Properties
- Density: 1.217
- Boiling Point: 399.1°C at 760 mmHg
- Flash Point: 203.3°C
- Refractive Index: 1.551
- PSA: 52.6
- LogP: 2.74990
butyl 2-oxo-2H-chromene-3-carboxylate Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
7460-87-9 (butyl 2-oxo-2H-chromene-3-carboxylate) Related Products
- 6093-71-6(YZ9)
- 36044-49-2(Methyl 2H-chromene-3-carboxylate)
- 1846-76-0(Ethyl 3-coumarincarboxylate)
- 22649-28-1(2H-Chromene-3-carboxylic acid)
- 10242-13-4(2H-1-Benzopyran-3-carboxylicacid, 6-methyl-2-oxo-)
- 779-27-1(7-Hydroxycoumarin-3-carboxylic acid)
- 531-81-7(Coumarin-3-carboxylic acid)
- 20300-59-8(7-Methoxycoumarin-3-carboxylic acid)
- 2445-82-1(2H-1-Benzopyran-2-one,3-methyl-)
- 57543-58-5(Ethyl 2H-chromene-3-carboxylate)
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