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169180-87-4 | Acetic acid, 2,2'-[(4-amino-1,2-phenylene)bis(oxy)]bis-, dimethyl ester (9CI)
CAS No: 169180-87-4 Catalog No: AG001YIR MDL No:
Product Description
Catalog Number:
AG001YIR
Chemical Name:
Acetic acid, 2,2'-[(4-amino-1,2-phenylene)bis(oxy)]bis-, dimethyl ester (9CI)
CAS Number:
169180-87-4
Molecular Formula:
C12H15NO6
Molecular Weight:
269.2506
IUPAC Name:
methyl 2-[4-amino-2-(2-methoxy-2-oxoethoxy)phenoxy]acetate
InChI:
InChI=1S/C12H15NO6/c1-16-11(14)6-18-9-4-3-8(13)5-10(9)19-7-12(15)17-2/h3-5H,6-7,13H2,1-2H3
InChI Key:
FYDKFAQTEHBMNT-UHFFFAOYSA-N
SMILES:
COC(=O)COc1cc(N)ccc1OCC(=O)OC
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.253g/mol
Monoisotopic Mass:
269.09g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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