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23197-72-0 | Propanedioic acid, 2-[4-(2-methylpropyl)phenyl]-, 1,3-diethyl ester
CAS No: 23197-72-0 Catalog No: AG002MHX MDL No:
Product Description
Catalog Number:
AG002MHX
Chemical Name:
Propanedioic acid, 2-[4-(2-methylpropyl)phenyl]-, 1,3-diethyl ester
CAS Number:
23197-72-0
Molecular Formula:
C17H24O4
Molecular Weight:
292.3701
IUPAC Name:
diethyl 2-[4-(2-methylpropyl)phenyl]propanedioate
InChI:
InChI=1S/C17H24O4/c1-5-20-16(18)15(17(19)21-6-2)14-9-7-13(8-10-14)11-12(3)4/h7-10,12,15H,5-6,11H2,1-4H3
InChI Key:
TYYQDYZFRNVPGN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(cc1)CC(C)C)C(=O)OCC
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.167g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.375g/mol
Monoisotopic Mass:
292.167g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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