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50866-30-3 | 5-Methylpyrazine-2-carbaldehyde
CAS No: 50866-30-3 Catalog No: AG0037DV MDL No:MFCD10697792
Product Description
Catalog Number:
AG0037DV
Chemical Name:
5-Methylpyrazine-2-carbaldehyde
CAS Number:
50866-30-3
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
MDL Number:
MFCD10697792
IUPAC Name:
5-methylpyrazine-2-carbaldehyde
InChI:
InChI=1S/C6H6N2O/c1-5-2-8-6(4-9)3-7-5/h2-4H,1H3
InChI Key:
JUPFEWGPEBACJP-UHFFFAOYSA-N
SMILES:
Cc1cnc(cn1)C=O
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.127g/mol
Monoisotopic Mass:
122.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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