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1251146-54-9 | 6-(Tetrahydro-2H-pyran-4-ylamino)picolinic acid
CAS No: 1251146-54-9 Catalog No: AG01F9SA MDL No:
Product Description
Catalog Number:
AG01F9SA
Chemical Name:
6-(Tetrahydro-2H-pyran-4-ylamino)picolinic acid
CAS Number:
1251146-54-9
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
IUPAC Name:
6-(oxan-4-ylamino)pyridine-2-carboxylic acid
InChI:
InChI=1S/C11H14N2O3/c14-11(15)9-2-1-3-10(13-9)12-8-4-6-16-7-5-8/h1-3,8H,4-7H2,(H,12,13)(H,14,15)
InChI Key:
SOHONOIBHIVQDX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(n1)NC1CCOCC1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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