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1402233-00-4 | 3-(Oxan-4-ylmethoxy)pyridine-2-carboxylic acid
CAS No: 1402233-00-4 Catalog No: AG01FA3E MDL No:
Product Description
Catalog Number:
AG01FA3E
Chemical Name:
3-(Oxan-4-ylmethoxy)pyridine-2-carboxylic acid
CAS Number:
1402233-00-4
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
3-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
InChI:
InChI=1S/C12H15NO4/c14-12(15)11-10(2-1-5-13-11)17-8-9-3-6-16-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,14,15)
InChI Key:
VBCGTBSHZCFQEP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncccc1OCC1CCOCC1
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:
1.3
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