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1385696-82-1 | 5-(Oxan-4-ylmethoxy)pyridine-3-carboxylic acid
CAS No: 1385696-82-1 Catalog No: AG01FA38 MDL No:
Product Description
Catalog Number:
AG01FA38
Chemical Name:
5-(Oxan-4-ylmethoxy)pyridine-3-carboxylic acid
CAS Number:
1385696-82-1
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
5-(oxan-4-ylmethoxy)pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H15NO4/c14-12(15)10-5-11(7-13-6-10)17-8-9-1-3-16-4-2-9/h5-7,9H,1-4,8H2,(H,14,15)
InChI Key:
RVHDWSQBFHNVMA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(c1)OCC1CCOCC1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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