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88515-92-8 | Propanoic acid, 3,3'-[1,2-phenylenebis(oxy)]bis-, dimethyl ester
CAS No: 88515-92-8 Catalog No: AG0048U4 MDL No:
Product Description
Catalog Number:
AG0048U4
Chemical Name:
Propanoic acid, 3,3'-[1,2-phenylenebis(oxy)]bis-, dimethyl ester
CAS Number:
88515-92-8
Molecular Formula:
C14H18O6
Molecular Weight:
282.2891
IUPAC Name:
methyl 3-[2-(3-methoxy-3-oxopropoxy)phenoxy]propanoate
InChI:
InChI=1S/C14H18O6/c1-17-13(15)7-9-19-11-5-3-4-6-12(11)20-10-8-14(16)18-2/h3-6H,7-10H2,1-2H3
InChI Key:
FLSGZJLWSPPCLS-UHFFFAOYSA-N
SMILES:
COC(=O)CCOc1ccccc1OCCC(=O)OC
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.292g/mol
Monoisotopic Mass:
282.11g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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