Cas no 14333-92-7 (Benzeneacetaldehyde,4-ethyl-a-oxo-)
14333-92-7 structure
Product Name:Benzeneacetaldehyde,4-ethyl-a-oxo-
CAS No:14333-92-7
MF:C10H12O3
MW:180.200483322144
CID:120328
PubChem ID:44118760
Update Time:2025-04-18
Benzeneacetaldehyde,4-ethyl-a-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetaldehyde,4-ethyl-a-oxo-
- (4-ETHYLPHENYL)GLYOXAL HYDRATE
- G-KG
- 2-(4-ethylphenyl)-2-oxoacetaldehyde hydrate
- CS-0441475
- AB48659
- DS-0014
- 1171381-90-0
- 4-Ethylphenylglyoxal hydrate
- DTXSID10656971
- AKOS015855185
- 2-(4-Ethylphenyl)-2-oxoacetaldehydehydrate
- (4-Ethylphenyl)(oxo)acetaldehyde--water (1/1)
- A893444
- Benzeneacetaldehyde, 4-ethyl-alpha-oxo-, hydrate (1:1)
- 2-(4-ethylphenyl)-2-oxoacetaldehyde;hydrate
- 14333-92-7
-
- Inchi： 1S/C10H10O2.H2O/c1-2-8-3-5-9(6-4-8)10(12)7-11;/h3-7H,2H2,1H3;1H2
- InChI Key： QFDCQUPYEYQFJM-UHFFFAOYSA-N
- SMILES： O=C(C=O)C1C=CC(=CC=1)CC.O
Computed Properties
- Exact Mass: 180.079
- Monoisotopic Mass: 180.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 167
- 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: 35.1A^2
Experimental Properties
- PSA: 43.37000
- LogP: 1.56630
Benzeneacetaldehyde,4-ethyl-a-oxo- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
14333-92-7 (Benzeneacetaldehyde,4-ethyl-a-oxo-) Related Products
- 3363-97-1(1,1'-(1,4-Phenylene)bis(2-phenylethane-1,2-dione))
- 48160-61-8(Ethanone,1,1'-(1,4-phenylene)bis[2,2-dihydroxy-)
- 134-81-6(diphenylethane-1,2-dione)
- 77092-81-0(Benzil-d10)
- 579-07-7(1-Phenylpropane-1,2-dione)
- 2431-00-7(4-Methylbenzil)
- 1074-12-0(2-Oxo-2-phenylacetaldehyde)
- 16208-20-1(1-Naphthylglyoxal hydrate)
- 3457-48-5(4,4'-Dimethylbenzil)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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