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84199-92-8 | Propanedioic acid, [2-(2-pyridinyl)ethyl]-, diethyl ester
CAS No: 84199-92-8 Catalog No: AG004OS2 MDL No:
Product Description
Catalog Number:
AG004OS2
Chemical Name:
Propanedioic acid, [2-(2-pyridinyl)ethyl]-, diethyl ester
CAS Number:
84199-92-8
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
IUPAC Name:
diethyl 2-(2-pyridin-2-ylethyl)propanedioate
InChI:
InChI=1S/C14H19NO4/c1-3-18-13(16)12(14(17)19-4-2)9-8-11-7-5-6-10-15-11/h5-7,10,12H,3-4,8-9H2,1-2H3
InChI Key:
XVPMESFRZJJXGY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)CCc1ccccn1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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