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Home > Aldehydes > 874279-27-3
874279-27-3 | 2-(Methylsulfonyl)pyrimidine-4-carbaldehyde
CAS No: 874279-27-3 Catalog No: AG004J7K MDL No:MFCD09832938
Product Description
Catalog Number:
AG004J7K
Chemical Name:
2-(Methylsulfonyl)pyrimidine-4-carbaldehyde
CAS Number:
874279-27-3
Molecular Formula:
C6H6N2O3S
Molecular Weight:
186.1884
MDL Number:
MFCD09832938
IUPAC Name:
2-methylsulfonylpyrimidine-4-carbaldehyde
InChI:
InChI=1S/C6H6N2O3S/c1-12(10,11)6-7-3-2-5(4-9)8-6/h2-4H,1H3
InChI Key:
KDPNLBRDWBXTFA-UHFFFAOYSA-N
SMILES:
O=Cc1ccnc(n1)S(=O)(=O)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.185g/mol
Monoisotopic Mass:
186.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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