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1155631-28-9 | 4-(Oxan-4-ylamino)pyridine-2-carboxylicacid
CAS No: 1155631-28-9 Catalog No: AG01FATW MDL No:
Product Description
Catalog Number:
AG01FATW
Chemical Name:
4-(Oxan-4-ylamino)pyridine-2-carboxylicacid
CAS Number:
1155631-28-9
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
IUPAC Name:
4-(oxan-4-ylamino)pyridine-2-carboxylic acid
InChI:
InChI=1S/C11H14N2O3/c14-11(15)10-7-9(1-4-12-10)13-8-2-5-16-6-3-8/h1,4,7-8H,2-3,5-6H2,(H,12,13)(H,14,15)
InChI Key:
UXJOTCIJPNICCK-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccc(c1)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:
1.1
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