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Home > Aldehydes > 834884-85-4
834884-85-4 | 6-(4-(Methylthio);phenyl);picolinaldehyde
CAS No: 834884-85-4 Catalog No: AG0050NR MDL No:
Product Description
Catalog Number:
AG0050NR
Chemical Name:
6-(4-(Methylthio);phenyl);picolinaldehyde
CAS Number:
834884-85-4
Molecular Formula:
C13H11NOS
Molecular Weight:
229.2975
IUPAC Name:
6-(4-methylsulfanylphenyl)pyridine-2-carbaldehyde
InChI:
InChI=1S/C13H11NOS/c1-16-12-7-5-10(6-8-12)13-4-2-3-11(9-15)14-13/h2-9H,1H3
InChI Key:
PBHUZBQNKVILJP-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1cccc(n1)C=O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.297g/mol
Monoisotopic Mass:
229.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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