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85604-87-1 | Butanoic acid, 3-oxo-,2-[2-(dimethylamino)ethoxy]ethyl ester
CAS No: 85604-87-1 Catalog No: AG004U50 MDL No:
Product Description
Catalog Number:
AG004U50
Chemical Name:
Butanoic acid, 3-oxo-,2-[2-(dimethylamino)ethoxy]ethyl ester
CAS Number:
85604-87-1
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
IUPAC Name:
2-[2-(dimethylamino)ethoxy]ethyl 3-oxobutanoate
InChI:
InChI=1S/C10H19NO4/c1-9(12)8-10(13)15-7-6-14-5-4-11(2)3/h4-8H2,1-3H3
InChI Key:
GIJVAQNLTSPVGC-UHFFFAOYSA-N
SMILES:
CN(CCOCCOC(=O)CC(=O)C)C
EC Number:
287-900-9
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.265g/mol
Monoisotopic Mass:
217.131g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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