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Home > Aldehydes > 198084-10-5
198084-10-5 | Benzaldehyde, 4-(3-methyl-2-pyrazinyl)-
CAS No: 198084-10-5 Catalog No: AG002BA0 MDL No:
Product Description
Catalog Number:
AG002BA0
Chemical Name:
Benzaldehyde, 4-(3-methyl-2-pyrazinyl)-
CAS Number:
198084-10-5
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
IUPAC Name:
4-(3,6-dimethylpyrazin-2-yl)benzaldehyde
InChI:
InChI=1S/C13H12N2O/c1-9-7-14-10(2)13(15-9)12-5-3-11(8-16)4-6-12/h3-8H,1-2H3
InChI Key:
NROOVMDYSFTHPT-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1nccnc1C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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