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5781-53-3

5781-53-3 | Methyl chlorooxoacetate

CAS No: 5781-53-3 Catalog No: AG0038MI MDL No:MFCD00000705

Product Description

Catalog Number:
AG0038MI
Chemical Name:
Methyl chlorooxoacetate
CAS Number:
5781-53-3
Molecular Formula:
C3H3ClO3
Molecular Weight:
122.5071
MDL Number:
MFCD00000705
IUPAC Name:
methyl 2-chloro-2-oxoacetate
InChI:
InChI=1S/C3H3ClO3/c1-7-3(6)2(4)5/h1H3
InChI Key:
ZXUQEPZWVQIOJE-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)Cl
EC Number:
227-307-4

Properties

Complexity:
98.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.977g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.504g/mol
Monoisotopic Mass:
121.977g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Literature

Title Journal
Stereoselectivity in deoxygenation of 5-hydroxy-5-phosphinyl-hexofuranoses (alpha-hydroxyphosphonates). Carbohydrate research 20030729

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