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139507-65-6 | Acetic acid, 2-oxo-2-(propoxyamino)-, methyl ester
CAS No: 139507-65-6 Catalog No: AG001B68 MDL No:
Product Description
Catalog Number:
AG001B68
Chemical Name:
Acetic acid, 2-oxo-2-(propoxyamino)-, methyl ester
CAS Number:
139507-65-6
Molecular Formula:
C6H11NO4
Molecular Weight:
161.1558
IUPAC Name:
methyl 2-oxo-2-(propoxyamino)acetate
InChI:
InChI=1S/C6H11NO4/c1-3-4-11-7-5(8)6(9)10-2/h3-4H2,1-2H3,(H,7,8)
InChI Key:
XRQLIABDILIHBZ-UHFFFAOYSA-N
SMILES:
CCCONC(=O)C(=O)OC
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.157g/mol
Monoisotopic Mass:
161.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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