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102733-43-7 | Propanedioic acid, 2-[1-(4-chlorophenyl)propyl]-, 1,3-diethyl ester
CAS No: 102733-43-7 Catalog No: AG000895 MDL No:
Product Description
Catalog Number:
AG000895
Chemical Name:
Propanedioic acid, 2-[1-(4-chlorophenyl)propyl]-, 1,3-diethyl ester
CAS Number:
102733-43-7
Molecular Formula:
C16H21ClO4
Molecular Weight:
312.7885
IUPAC Name:
diethyl 2-[1-(4-chlorophenyl)propyl]propanedioate
InChI:
InChI=1S/C16H21ClO4/c1-4-13(11-7-9-12(17)10-8-11)14(15(18)20-5-2)16(19)21-6-3/h7-10,13-14H,4-6H2,1-3H3
InChI Key:
XLSYJYUYYWTEPF-UHFFFAOYSA-N
SMILES:
CCC(C(C(=O)OCC)C(=O)OCC)c1ccc(cc1)Cl
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.113g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.79g/mol
Monoisotopic Mass:
312.113g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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