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Home > Aldehydes > 919291-37-5
919291-37-5 | 3-Pyridinecarboxaldehyde, 2-[(2,2-dimethylpropyl)thio]-
CAS No: 919291-37-5 Catalog No: AG006JTV MDL No:
Product Description
Catalog Number:
AG006JTV
Chemical Name:
3-Pyridinecarboxaldehyde, 2-[(2,2-dimethylpropyl)thio]-
CAS Number:
919291-37-5
Molecular Formula:
C11H15NOS
Molecular Weight:
209.3079
IUPAC Name:
2-(2,2-dimethylpropylsulfanyl)pyridine-3-carbaldehyde
InChI:
InChI=1S/C11H15NOS/c1-11(2,3)8-14-10-9(7-13)5-4-6-12-10/h4-7H,8H2,1-3H3
InChI Key:
VFPYPFSSRVNDNZ-UHFFFAOYSA-N
SMILES:
O=Cc1cccnc1SCC(C)(C)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.307g/mol
Monoisotopic Mass:
209.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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