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Home > Pyridines > 870703-62-1
870703-62-1 | 3-Acetyl-2,6-dimethoxypyridine
CAS No: 870703-62-1 Catalog No: AG003IT6 MDL No:MFCD07784407
Product Description
Catalog Number:
AG003IT6
Chemical Name:
3-Acetyl-2,6-dimethoxypyridine
CAS Number:
870703-62-1
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD07784407
IUPAC Name:
1-(2,6-dimethoxypyridin-3-yl)ethanone
InChI:
InChI=1S/C9H11NO3/c1-6(11)7-4-5-8(12-2)10-9(7)13-3/h4-5H,1-3H3
InChI Key:
IVALWZXGBXJZPI-UHFFFAOYSA-N
SMILES:
COc1nc(OC)ccc1C(=O)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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