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Home > Pyridines > 1803598-29-9
1803598-29-9 | 7-methanesulfonyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CAS No: 1803598-29-9 Catalog No: AG01E9JC MDL No:MFCD28063790
Product Description
Catalog Number:
AG01E9JC
Chemical Name:
7-methanesulfonyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CAS Number:
1803598-29-9
Molecular Formula:
C8H11N3O3S
Molecular Weight:
229.2562
MDL Number:
MFCD28063790
IUPAC Name:
7-methylsulfonyl-4a,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C8H11N3O3S/c1-15(13,14)11-3-2-6-7(4-11)9-5-10-8(6)12/h5-6H,2-4H2,1H3
InChI Key:
VJWOWNCRZJFDSS-UHFFFAOYSA-N
SMILES:
O=c1[nH]cnc2c1CCN(C2)S(=O)(=O)C
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.254g/mol
Monoisotopic Mass:
229.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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