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Home > Aldehydes > 116785-23-0
116785-23-0 | 3-Pyridinecarboxaldehyde, 4,6-dimethyl-
CAS No: 116785-23-0 Catalog No: AG000D86 MDL No:MFCD18251021
Product Description
Catalog Number:
AG000D86
Chemical Name:
3-Pyridinecarboxaldehyde, 4,6-dimethyl-
CAS Number:
116785-23-0
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
MDL Number:
MFCD18251021
IUPAC Name:
4,6-dimethylpyridine-3-carbaldehyde
InChI:
InChI=1S/C8H9NO/c1-6-3-7(2)9-4-8(6)5-10/h3-5H,1-2H3
InChI Key:
NXNMBOWNWKPVGP-UHFFFAOYSA-N
SMILES:
Cc1cc(C)ncc1C=O
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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