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29148-20-7 | Propanedioic acid, 2-(4-butoxyphenyl)-, 1,3-diethyl ester
CAS No: 29148-20-7 Catalog No: AG002XHE MDL No:
Product Description
Catalog Number:
AG002XHE
Chemical Name:
Propanedioic acid, 2-(4-butoxyphenyl)-, 1,3-diethyl ester
CAS Number:
29148-20-7
Molecular Formula:
C17H24O5
Molecular Weight:
308.3695
IUPAC Name:
diethyl 2-(4-butoxyphenyl)propanedioate
InChI:
InChI=1S/C17H24O5/c1-4-7-12-22-14-10-8-13(9-11-14)15(16(18)20-5-2)17(19)21-6-3/h8-11,15H,4-7,12H2,1-3H3
InChI Key:
MLRDJOCZUJCSLK-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(C(=O)OCC)C(=O)OCC
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.162g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.374g/mol
Monoisotopic Mass:
308.162g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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