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59834-40-1 | N-(Pyridine-4-carbonyl)-L-proline
CAS No: 59834-40-1 Catalog No: AG00F2F9 MDL No:MFCD00448260
Product Description
Catalog Number:
AG00F2F9
Chemical Name:
N-(Pyridine-4-carbonyl)-L-proline
CAS Number:
59834-40-1
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD00448260
IUPAC Name:
(2S)-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H12N2O3/c14-10(8-3-5-12-6-4-8)13-7-1-2-9(13)11(15)16/h3-6,9H,1-2,7H2,(H,15,16)/t9-/m0/s1
InChI Key:
HWSJOJYQNWMORF-VIFPVBQESA-N
SMILES:
OC(=O)C1CCCN1C(=O)c1ccncc1
Properties
Complexity:
287
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:
0.7
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