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Home > Aldehydes > 113118-86-8
113118-86-8 | 3-Pyridinecarboxaldehyde, 5-methoxy-4-methyl- (9CI)
CAS No: 113118-86-8 Catalog No: AG009UI1 MDL No:MFCD18258389
Product Description
Catalog Number:
AG009UI1
Chemical Name:
3-Pyridinecarboxaldehyde, 5-methoxy-4-methyl- (9CI)
CAS Number:
113118-86-8
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD18258389
IUPAC Name:
5-methoxy-4-methylpyridine-3-carbaldehyde
InChI:
InChI=1S/C8H9NO2/c1-6-7(5-10)3-9-4-8(6)11-2/h3-5H,1-2H3
InChI Key:
ATNJPGOTCZQMBC-UHFFFAOYSA-N
SMILES:
COc1cncc(c1C)C=O
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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