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1393330-53-4 | 5-(Oxetan-3-yloxy)pyridine-2-carboxylic acid
CAS No: 1393330-53-4 Catalog No: AG01FANT MDL No:
Product Description
Catalog Number:
AG01FANT
Chemical Name:
5-(Oxetan-3-yloxy)pyridine-2-carboxylic acid
CAS Number:
1393330-53-4
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
IUPAC Name:
5-(oxetan-3-yloxy)pyridine-2-carboxylic acid
InChI:
InChI=1S/C9H9NO4/c11-9(12)8-2-1-6(3-10-8)14-7-4-13-5-7/h1-3,7H,4-5H2,(H,11,12)
InChI Key:
CNFWMQCBZFVFJW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cn1)OC1COC1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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