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1494997-01-1 | 1-BENZYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBALDEHYDE
CAS No: 1494997-01-1 Catalog No: AG01BT4Y MDL No:MFCD18615124
Product Description
Catalog Number:
AG01BT4Y
Chemical Name:
1-BENZYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBALDEHYDE
CAS Number:
1494997-01-1
Molecular Formula:
C14H11N3O
Molecular Weight:
237.2566
MDL Number:
MFCD18615124
IUPAC Name:
1-benzylpyrazolo[3,4-b]pyridine-5-carbaldehyde
InChI:
InChI=1S/C14H11N3O/c18-10-12-6-13-8-16-17(14(13)15-7-12)9-11-4-2-1-3-5-11/h1-8,10H,9H2
InChI Key:
ZQFMLAUHQKJQAS-UHFFFAOYSA-N
SMILES:
O=Cc1cnc2c(c1)cnn2Cc1ccccc1
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.262g/mol
Monoisotopic Mass:
237.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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