Cas no 497-16-5 (oxopropanedial)
oxopropanedial structure
Product Name:oxopropanedial
oxopropanedial Chemical and Physical Properties
Names and Identifiers
-
- oxopropanedial
- 2-oxopropanedial
- DTXSID30197972
- Propanedial, oxo-
- AKOS015855812
- A7469
- Oxomalonaldehyde
- MESOXALALDEHYDE
- 497-16-5
- 4MZR13E244
- 1,2,3-Propanetrione
- Trimethyleneoxide/Oxetane
- UNII-4MZR13E244
- Q27260168
- formyl ketone
- BRN 1719796
- Mesoxaldialdehyde
-
- Inchi： 1S/C3H2O3/c4-1-3(6)2-5/h1-2H
- InChI Key： ICQNCHSXWNQIHC-UHFFFAOYSA-N
- SMILES： O=C(C=O)C=O
Computed Properties
- Exact Mass: 86.00036
- Monoisotopic Mass: 86.000394
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 6
- Rotatable Bond Count: 2
- Complexity: 74
- 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: 51.2
- XLogP3: -0.5
- Tautomer Count: nothing
- Surface Charge: 0
Experimental Properties
- Density: 1.232
- Boiling Point: 176.3°C at 760 mmHg
- Flash Point: 61.2°C
- Refractive Index: 1.384
- PSA: 51.21
oxopropanedial Related Literature
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
497-16-5 (oxopropanedial) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
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