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Home > Aldehydes > 125966-89-4
125966-89-4 | 2-Pyrimidinecarboxaldehyde, 4,6-dimethoxy-
CAS No: 125966-89-4 Catalog No: AG000QM6 MDL No:MFCD09878566
Product Description
Catalog Number:
AG000QM6
Chemical Name:
2-Pyrimidinecarboxaldehyde, 4,6-dimethoxy-
CAS Number:
125966-89-4
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD09878566
IUPAC Name:
4,6-dimethoxypyrimidine-2-carbaldehyde
InChI:
InChI=1S/C7H8N2O3/c1-11-6-3-7(12-2)9-5(4-10)8-6/h3-4H,1-2H3
InChI Key:
RYWHUOXVOLTFRL-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)C=O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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