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89777-72-0 | Propanedioic acid, [4-(4-propylphenyl)butyl]-, diethyl ester
CAS No: 89777-72-0 Catalog No: AG003YO5 MDL No:
Product Description
Catalog Number:
AG003YO5
Chemical Name:
Propanedioic acid, [4-(4-propylphenyl)butyl]-, diethyl ester
CAS Number:
89777-72-0
Molecular Formula:
C20H30O4
Molecular Weight:
334.4498
IUPAC Name:
diethyl 2-[4-(4-propylphenyl)butyl]propanedioate
InChI:
InChI=1S/C20H30O4/c1-4-9-16-12-14-17(15-13-16)10-7-8-11-18(19(21)23-5-2)20(22)24-6-3/h12-15,18H,4-11H2,1-3H3
InChI Key:
RLTYUZQDEZDMED-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)CCCCc1ccc(cc1)CCC
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.214g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.456g/mol
Monoisotopic Mass:
334.214g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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