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Home > Aldehydes > 1235440-51-3
1235440-51-3 | 1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde
CAS No: 1235440-51-3 Catalog No: AG019Y4Y MDL No:MFCD15209542
Product Description
Catalog Number:
AG019Y4Y
Chemical Name:
1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde
CAS Number:
1235440-51-3
Molecular Formula:
C12H13N3O3S
Molecular Weight:
279.3149
MDL Number:
MFCD15209542
IUPAC Name:
1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[3,4-b]pyridine-5-carbaldehyde
InChI:
InChI=1S/C12H13N3O3S/c1-8-11-4-9(6-16)5-13-12(11)15(14-8)10-2-3-19(17,18)7-10/h4-6,10H,2-3,7H2,1H3
InChI Key:
XBIIEOXETOAULV-UHFFFAOYSA-N
SMILES:
O=Cc1cnc2c(c1)c(C)nn2C1CCS(=O)(=O)C1
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.314g/mol
Monoisotopic Mass:
279.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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