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Home > Pyridines > 167868-25-9
167868-25-9 | L-Proline, 1-(2-pyridinylcarbonyl)-
CAS No: 167868-25-9 Catalog No: AG001XNC MDL No:MFCD09757456
Product Description
Catalog Number:
AG001XNC
Chemical Name:
L-Proline, 1-(2-pyridinylcarbonyl)-
CAS Number:
167868-25-9
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD09757456
IUPAC Name:
(2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H12N2O3/c14-10(8-4-1-2-6-12-8)13-7-3-5-9(13)11(15)16/h1-2,4,6,9H,3,5,7H2,(H,15,16)/t9-/m0/s1
InChI Key:
UXKBRXACOQTFGA-VIFPVBQESA-N
SMILES:
OC(=O)[C@@H]1CCCN1C(=O)c1ccccn1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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