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1004-17-7 | 4-Pyrimidinecarboxaldehyde, 2-methyl-
CAS No: 1004-17-7 Catalog No: AG0001WD MDL No:MFCD09832936
Product Description
Catalog Number:
AG0001WD
Chemical Name:
4-Pyrimidinecarboxaldehyde, 2-methyl-
CAS Number:
1004-17-7
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
MDL Number:
MFCD09832936
IUPAC Name:
2-methylpyrimidine-4-carbaldehyde
InChI:
InChI=1S/C6H6N2O/c1-5-7-3-2-6(4-9)8-5/h2-4H,1H3
InChI Key:
BXHGNAADUUXBKK-UHFFFAOYSA-N
SMILES:
O=Cc1ccnc(n1)C
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.127g/mol
Monoisotopic Mass:
122.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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