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Home > Aldehydes > 1860348-45-3
1860348-45-3 | 2-[3-(methylsulfanyl)pyrrolidin-1-yl]pyridine-3-carbaldehyde
CAS No: 1860348-45-3 Catalog No: AG01C8T2 MDL No:MFCD31443246
Product Description
Catalog Number:
AG01C8T2
Chemical Name:
2-[3-(methylsulfanyl)pyrrolidin-1-yl]pyridine-3-carbaldehyde
CAS Number:
1860348-45-3
Molecular Formula:
C11H14N2OS
Molecular Weight:
222.3067
MDL Number:
MFCD31443246
IUPAC Name:
2-(3-methylsulfanylpyrrolidin-1-yl)pyridine-3-carbaldehyde
InChI:
InChI=1S/C11H14N2OS/c1-15-10-4-6-13(7-10)11-9(8-14)3-2-5-12-11/h2-3,5,8,10H,4,6-7H2,1H3
InChI Key:
BBWVVZRBIKHEOY-UHFFFAOYSA-N
SMILES:
CSC1CCN(C1)c1ncccc1C=O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.306g/mol
Monoisotopic Mass:
222.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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