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23948-50-7 | 4-Hydroxy-6-methyl-2-piperidin-1-yl-pyrimidine-5-carbaldehyde
CAS No: 23948-50-7 Catalog No: AG01F6JR MDL No:
Product Description
Catalog Number:
AG01F6JR
Chemical Name:
4-Hydroxy-6-methyl-2-piperidin-1-yl-pyrimidine-5-carbaldehyde
CAS Number:
23948-50-7
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
IUPAC Name:
4-methyl-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C11H15N3O2/c1-8-9(7-15)10(16)13-11(12-8)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,12,13,16)
InChI Key:
DUSWZCFKWDXOKA-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nc(nc1O)N1CCCCC1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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