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Home > Pyridines > 629646-45-3
629646-45-3 | 1-(6-methoxypyridin-3-yl)propan-2-one
CAS No: 629646-45-3 Catalog No: AG01C2OC MDL No:MFCD18802889
Product Description
Catalog Number:
AG01C2OC
Chemical Name:
1-(6-methoxypyridin-3-yl)propan-2-one
CAS Number:
629646-45-3
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD18802889
IUPAC Name:
1-(6-methoxypyridin-3-yl)propan-2-one
InChI:
InChI=1S/C9H11NO2/c1-7(11)5-8-3-4-9(12-2)10-6-8/h3-4,6H,5H2,1-2H3
InChI Key:
ZTVKQIOWHQKSOC-UHFFFAOYSA-N
SMILES:
COc1ccc(cn1)CC(=O)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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