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28890-73-5 | 2,5-Pyridinedicarboxylic acid, 2,5-bis(1-methylethyl) ester
CAS No: 28890-73-5 Catalog No: AG002WZ6 MDL No:
Product Description
Catalog Number:
AG002WZ6
Chemical Name:
2,5-Pyridinedicarboxylic acid, 2,5-bis(1-methylethyl) ester
CAS Number:
28890-73-5
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
IUPAC Name:
dipropan-2-yl pyridine-2,5-dicarboxylate
InChI:
InChI=1S/C13H17NO4/c1-8(2)17-12(15)10-5-6-11(14-7-10)13(16)18-9(3)4/h5-9H,1-4H3
InChI Key:
MWDACQZSKSPYGD-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1ccc(cn1)C(=O)OC(C)C)C
Properties
Complexity:
301
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:
6
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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