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Home > Aldehydes > 1174028-17-1
1174028-17-1 | 3-Pyridinecarboxaldehyde, 5,6-dimethyl-
CAS No: 1174028-17-1 Catalog No: AG000E85 MDL No:MFCD18262052
Product Description
Catalog Number:
AG000E85
Chemical Name:
3-Pyridinecarboxaldehyde, 5,6-dimethyl-
CAS Number:
1174028-17-1
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
MDL Number:
MFCD18262052
IUPAC Name:
5,6-dimethylpyridine-3-carbaldehyde
InChI:
InChI=1S/C8H9NO/c1-6-3-8(5-10)4-9-7(6)2/h3-5H,1-2H3
InChI Key:
BLCHNCQTMATGMQ-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(c(c1)C)C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.166g/mol
Monoisotopic Mass:
135.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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