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592-20-1 | 2-Oxopropyl acetate
CAS No: 592-20-1 Catalog No: AG003HU1 MDL No:MFCD00042848
Product Description
Catalog Number:
AG003HU1
Chemical Name:
2-Oxopropyl acetate
CAS Number:
592-20-1
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
MDL Number:
MFCD00042848
IUPAC Name:
2-oxopropyl acetate
InChI:
InChI=1S/C5H8O3/c1-4(6)3-8-5(2)7/h3H2,1-2H3
InChI Key:
DBERHVIZRVGDFO-UHFFFAOYSA-N
SMILES:
CC(=O)OCC(=O)C
EC Number:
209-746-3
UNII:
CM71768T6Q
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.047g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.116g/mol
Monoisotopic Mass:
116.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| 2-(4-Bromo-phen-yl)-2-oxoethyl 4-methyl-benzoate. | Acta crystallographica. Section E, Structure reports online 20111201 |
| 2-(4-Chloro-phen-yl)-2-oxoethyl 4-hy-droxy-benzoate. | Acta crystallographica. Section E, Structure reports online 20111001 |
| A genomic reappraisal of symbiotic function in the aphid/Buchnera symbiosis: reduced transporter sets and variable membrane organisations. | PloS one 20110101 |
| Practical production of (S)-1,2-propanediol and its derivative through baker's yeast-mediated reduction. | Journal of bioscience and bioengineering 20010101 |
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