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57477-12-0 | diethyl (3-pyridylmethyl)malonate
CAS No: 57477-12-0 Catalog No: AG00ETN0 MDL No:
Product Description
Catalog Number:
AG00ETN0
Chemical Name:
diethyl (3-pyridylmethyl)malonate
CAS Number:
57477-12-0
IUPAC Name:
diethyl 2-(pyridin-3-ylmethyl)propanedioate
InChI:
InChI=1S/C13H17NO4/c1-3-17-12(15)11(13(16)18-4-2)8-10-6-5-7-14-9-10/h5-7,9,11H,3-4,8H2,1-2H3
InChI Key:
GBCNXGKAGMMHMV-UHFFFAOYSA-N
EC Number:
260-758-5
Properties
Complexity:
262
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:
1.8
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