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38840-03-8 | 1-Pyrrolidinecarboxaldehyde, 2-(3-pyridinyl)-, (S)-
CAS No: 38840-03-8 Catalog No: AG00781C MDL No:
Product Description
Catalog Number:
AG00781C
Chemical Name:
1-Pyrrolidinecarboxaldehyde, 2-(3-pyridinyl)-, (S)-
CAS Number:
38840-03-8
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
IUPAC Name:
(2S)-2-pyridin-3-ylpyrrolidine-1-carbaldehyde
InChI:
InChI=1S/C10H12N2O/c13-8-12-6-2-4-10(12)9-3-1-5-11-7-9/h1,3,5,7-8,10H,2,4,6H2/t10-/m0/s1
InChI Key:
GQLSEYOOXBRDFZ-JTQLQIEISA-N
SMILES:
O=CN1CCC[C@H]1c1cccnc1
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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