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950603-19-7 | 5-(Pyrrolidin-1-yl)picolinic acid
CAS No: 950603-19-7 Catalog No: AG005TFY MDL No:MFCD09879903
Product Description
Catalog Number:
AG005TFY
Chemical Name:
5-(Pyrrolidin-1-yl)picolinic acid
CAS Number:
950603-19-7
Molecular Formula:
C10H12N2O2
Molecular Weight:
192.2145
MDL Number:
MFCD09879903
IUPAC Name:
5-pyrrolidin-1-ylpyridine-2-carboxylic acid
InChI:
InChI=1S/C10H12N2O2/c13-10(14)9-4-3-8(7-11-9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,14)
InChI Key:
ACLFTMQROMOTLA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cn1)N1CCCC1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.218g/mol
Monoisotopic Mass:
192.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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