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1439896-31-7 | 4-(6-Methoxypyridin-2-yl)oxane-4-carboxylic acid
CAS No: 1439896-31-7 Catalog No: AG01F9JQ MDL No:
Product Description
Catalog Number:
AG01F9JQ
Chemical Name:
4-(6-Methoxypyridin-2-yl)oxane-4-carboxylic acid
CAS Number:
1439896-31-7
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
4-(6-methoxypyridin-2-yl)oxane-4-carboxylic acid
InChI:
InChI=1S/C12H15NO4/c1-16-10-4-2-3-9(13-10)12(11(14)15)5-7-17-8-6-12/h2-4H,5-8H2,1H3,(H,14,15)
InChI Key:
SBEIWOYVXVDWCB-UHFFFAOYSA-N
SMILES:
COc1cccc(n1)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:
0.9
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