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27648-87-9 | Acetic acid, 2,2'-[1,2-phenylenebis(oxy)]bis-, 1,1'-dimethyl ester
CAS No: 27648-87-9 Catalog No: AG002UBK MDL No:
Product Description
Catalog Number:
AG002UBK
Chemical Name:
Acetic acid, 2,2'-[1,2-phenylenebis(oxy)]bis-, 1,1'-dimethyl ester
CAS Number:
27648-87-9
Molecular Formula:
C12H14O6
Molecular Weight:
254.2360
IUPAC Name:
methyl 2-[2-(2-methoxy-2-oxoethoxy)phenoxy]acetate
InChI:
InChI=1S/C12H14O6/c1-15-11(13)7-17-9-5-3-4-6-10(9)18-8-12(14)16-2/h3-6H,7-8H2,1-2H3
InChI Key:
LMSWPJWMWGZNFA-UHFFFAOYSA-N
SMILES:
COC(=O)COc1ccccc1OCC(=O)OC
NSC Number:
406759
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.238g/mol
Monoisotopic Mass:
254.079g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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