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100972-86-9 | Propanedioic acid, 2-(2-methylphenoxy)-, 1,3-diethyl ester
CAS No: 100972-86-9 Catalog No: AG0003C0 MDL No:
Product Description
Catalog Number:
AG0003C0
Chemical Name:
Propanedioic acid, 2-(2-methylphenoxy)-, 1,3-diethyl ester
CAS Number:
100972-86-9
Molecular Formula:
C14H18O5
Molecular Weight:
266.2897
IUPAC Name:
diethyl 2-(2-methylphenoxy)propanedioate
InChI:
InChI=1S/C14H18O5/c1-4-17-13(15)12(14(16)18-5-2)19-11-9-7-6-8-10(11)3/h6-9,12H,4-5H2,1-3H3
InChI Key:
SSKLUIRMJMNRDQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)Oc1ccccc1C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.293g/mol
Monoisotopic Mass:
266.115g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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