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89704-35-8 | Acetic acid, (acetylmethylamino)(acetyloxy)-, ethyl ester
CAS No: 89704-35-8 Catalog No: AG0042LR MDL No:
Product Description
Catalog Number:
AG0042LR
Chemical Name:
Acetic acid, (acetylmethylamino)(acetyloxy)-, ethyl ester
CAS Number:
89704-35-8
Molecular Formula:
C9H15NO5
Molecular Weight:
217.2191
IUPAC Name:
ethyl 2-acetyloxy-2-(2-oxopropylamino)acetate
InChI:
InChI=1S/C9H15NO5/c1-4-14-9(13)8(15-7(3)12)10-5-6(2)11/h8,10H,4-5H2,1-3H3
InChI Key:
GNLFRGIGJPPEAN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(OC(=O)C)NCC(=O)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.221g/mol
Monoisotopic Mass:
217.095g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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