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16703-52-9

16703-52-9 | Acetic acid, 2-(dimethylamino)-2-oxo-, ethyl ester

CAS No: 16703-52-9 Catalog No: AG001X3I MDL No:

Product Description

Catalog Number:
AG001X3I
Chemical Name:
Acetic acid, 2-(dimethylamino)-2-oxo-, ethyl ester
CAS Number:
16703-52-9
Molecular Formula:
C6H11NO3
Molecular Weight:
145.1564
IUPAC Name:
ethyl 2-(dimethylamino)-2-oxoacetate
InChI:
InChI=1S/C6H11NO3/c1-4-10-6(9)5(8)7(2)3/h4H2,1-3H3
InChI Key:
HMALWDVRMHVUAW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)N(C)C
EC Number:
240-755-5
UNII:
B8Q3U39CUO
NSC Number:
511999

Properties

Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.074g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.158g/mol
Monoisotopic Mass:
145.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

Literature

Title Journal
The use of stable isotope labelling for the analytical chemistry of drugs. Drug testing and analysis 20120101

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