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1600700-31-9 | 6-(1,2,3,6-tetrahydropyridin-1-yl)pyridine-3-carbaldehyde
CAS No: 1600700-31-9 Catalog No: AG01C8JY MDL No:
Product Description
Catalog Number:
AG01C8JY
Chemical Name:
6-(1,2,3,6-tetrahydropyridin-1-yl)pyridine-3-carbaldehyde
CAS Number:
1600700-31-9
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
6-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carbaldehyde
InChI:
InChI=1S/C11H12N2O/c14-9-10-4-5-11(12-8-10)13-6-2-1-3-7-13/h1-2,4-5,8-9H,3,6-7H2
InChI Key:
JXHZQTBBVYKXTP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(nc1)N1CCC=CC1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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