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Home > Aldehydes > 101861-00-1
101861-00-1 | 5-Pyrimidinecarboxaldehyde, 1,6-dihydro-2,4-dimethyl-6-oxo-
CAS No: 101861-00-1 Catalog No: AG0005RH MDL No:
Product Description
Catalog Number:
AG0005RH
Chemical Name:
5-Pyrimidinecarboxaldehyde, 1,6-dihydro-2,4-dimethyl-6-oxo-
CAS Number:
101861-00-1
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
IUPAC Name:
2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C7H8N2O2/c1-4-6(3-10)7(11)9-5(2)8-4/h3H,1-2H3,(H,8,9,11)
InChI Key:
SYQKIBHUNFXIDV-UHFFFAOYSA-N
SMILES:
Cc1nc(C)[nH]c(=O)c1C=O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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