Cas no 2462-59-1 (1H-Indene-1,2,3-trione,hydrate (1:1))
2462-59-1 structure
Product Name:1H-Indene-1,2,3-trione,hydrate (1:1)
1H-Indene-1,2,3-trione,hydrate (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indene-1,2,3-trione,hydrate (1:1)
- indene-1,2,3-trione,hydrate
- 1,2,3-Indantrione,monohydrate (8CI)
- 1,2,3-Indantrionehydrate
- 1H-Indene-1,2,3-trione, monohydrate (9CI)
- indanetrione hydrate
- 2462-59-1
- MFLQZSRHKVDEOX-UHFFFAOYSA-N
- SCHEMBL592692
- DTXSID80179364
- 1H-Indene-1,2,3-trionehydrate
- AKOS015895169
- indene-1,2,3-trione;hydrate
- DS-16931
- 1,2,3-Indantrione, monohydrate
- 1H-Indene-1,2,3-trione hydrate
- CS-0323888
- indane-trione hydrate
-
- Inchi： 1S/C9H4O3.H2O/c10-7-5-3-1-2-4-6(5)8(11)9(7)12;/h1-4H;1H2
- InChI Key： MFLQZSRHKVDEOX-UHFFFAOYSA-N
- SMILES： O=C1C(C(C2C=CC=CC=21)=O)=O.O
Computed Properties
- Exact Mass: 178.02658
- Monoisotopic Mass: 178.027
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 241
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.2?2
Experimental Properties
- PSA: 82.71
1H-Indene-1,2,3-trione,hydrate (1:1) Related Literature
-
Renata Baranauskien?,Ramun? Rutkait?,Laura Pe?iulyt?,Rita Kazernavi?iūt?,Petras Rimantas Venskutonis Food Funct. 2016 7 3555
2462-59-1 (1H-Indene-1,2,3-trione,hydrate (1:1)) Related Products
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- 39627-61-7(7-Methyl-1-indanone)
- 50919-77-2(5-methyl-2,3-dihydro-1H-indene-1,3-dione)
- 4593-38-8(5-Methyl-1-indanone)
- 16214-27-0(Indan-1,2-dione)
- 24644-78-8(4-Methyl-2,3-dihydro-1H-inden-1-one)
- 6682-69-5(5,7-Dimethyl-2,3-dihydro-1H-inden-1-one)
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