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13831-31-7 | Acetyl chloride, 2-(acetyloxy)-
CAS No: 13831-31-7 Catalog No: AG0018IP MDL No:MFCD00011535
Product Description
Catalog Number:
AG0018IP
Chemical Name:
Acetyl chloride, 2-(acetyloxy)-
CAS Number:
13831-31-7
Molecular Formula:
C4H5ClO3
Molecular Weight:
136.5337
MDL Number:
MFCD00011535
IUPAC Name:
(2-chloro-2-oxoethyl) acetate
InChI:
InChI=1S/C4H5ClO3/c1-3(6)8-2-4(5)7/h2H2,1H3
InChI Key:
HZDNNJABYXNPPV-UHFFFAOYSA-N
SMILES:
CC(=O)OCC(=O)Cl
EC Number:
237-542-4
UNII:
Z4S19Y2F8S
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.993g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.531g/mol
Monoisotopic Mass:
135.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Synthesis of α-hydroxyacetophenones. | The Journal of organic chemistry 20120601 |
| Entrapment and kinetic resolution of stabilized axial and equatorial conformers of spiro-β-lactams. | The Journal of organic chemistry 20110805 |
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