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Home > Pyridines > 101829-74-7
101829-74-7 | Propanedioic acid, 2-(4-pyridinylmethyl)-, 1,3-diethyl ester
CAS No: 101829-74-7 Catalog No: AG0005NL MDL No:
Product Description
Catalog Number:
AG0005NL
Chemical Name:
Propanedioic acid, 2-(4-pyridinylmethyl)-, 1,3-diethyl ester
CAS Number:
101829-74-7
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
IUPAC Name:
diethyl 2-(pyridin-4-ylmethyl)propanedioate
InChI:
InChI=1S/C13H17NO4/c1-3-17-12(15)11(13(16)18-4-2)9-10-5-7-14-8-6-10/h5-8,11H,3-4,9H2,1-2H3
InChI Key:
MGZCCVPNCOIAAM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)Cc1ccncc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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