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820237-46-5 | 3-Pyridinecarboxaldehyde, 2,6-dipropoxy-
CAS No: 820237-46-5 Catalog No: AG005D98 MDL No:
Product Description
Catalog Number:
AG005D98
Chemical Name:
3-Pyridinecarboxaldehyde, 2,6-dipropoxy-
CAS Number:
820237-46-5
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
IUPAC Name:
2,6-dipropoxypyridine-3-carbaldehyde
InChI:
InChI=1S/C12H17NO3/c1-3-7-15-11-6-5-10(9-14)12(13-11)16-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
InChI Key:
LFBBQLCAAUNJJV-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(n1)OCCC)C=O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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