Home Aldehydes S-Nicotine-5-carboxaldehyde

S-Nicotine-5-carboxaldehyde

CAS No.:
852238-97-2
Catalog Number:
AG008FUO
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
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Product Description
Catalog Number:
AG008FUO
Chemical Name:
S-Nicotine-5-carboxaldehyde
CAS Number:
852238-97-2
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD09841083
IUPAC Name:
5-[(2S)-1-methylpyrrolidin-2-yl]pyridine-3-carbaldehyde
InChI:
InChI=1S/C11H14N2O/c1-13-4-2-3-11(13)10-5-9(8-14)6-12-7-10/h5-8,11H,2-4H2,1H3/t11-/m0/s1
InChI Key:
UNEQTJXXUQPCGD-NSHDSACASA-N
SMILES:
O=Cc1cncc(c1)[C@@H]1CCCN1C
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties