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Home > Aldehydes > 221349-79-7
221349-79-7 | 2-Methoxy-6-methyl-3-nitroisonicotinaldehyde
CAS No: 221349-79-7 Catalog No: AG006ZU8 MDL No:MFCD06410669
Product Description
Catalog Number:
AG006ZU8
Chemical Name:
2-Methoxy-6-methyl-3-nitroisonicotinaldehyde
CAS Number:
221349-79-7
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD06410669
IUPAC Name:
2-methoxy-6-methyl-3-nitropyridine-4-carbaldehyde
InChI:
InChI=1S/C8H8N2O4/c1-5-3-6(4-11)7(10(12)13)8(9-5)14-2/h3-4H,1-2H3
InChI Key:
LNPSZMOVBDUHMQ-UHFFFAOYSA-N
SMILES:
COc1nc(C)cc(c1[N+](=O)[O-])C=O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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