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1439899-52-1 | 4-(5-Methoxypyridin-2-yl)oxane-4-carboxylic acid
CAS No: 1439899-52-1 Catalog No: AG01F9JW MDL No:
Product Description
Catalog Number:
AG01F9JW
Chemical Name:
4-(5-Methoxypyridin-2-yl)oxane-4-carboxylic acid
CAS Number:
1439899-52-1
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
4-(5-methoxypyridin-2-yl)oxane-4-carboxylic acid
InChI:
InChI=1S/C12H15NO4/c1-16-9-2-3-10(13-8-9)12(11(14)15)4-6-17-7-5-12/h2-3,8H,4-7H2,1H3,(H,14,15)
InChI Key:
NCBMAEPRZVKIQG-UHFFFAOYSA-N
SMILES:
COc1ccc(nc1)C1(CCOCC1)C(=O)O
Properties
Complexity:
276
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:
3
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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