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1215484-85-7

1215484-85-7 | 3H-Pyrazolo[3,4-c]pyridin-3-one, 1,2,4,5,6,7-hexahydro-2-phenyl-

CAS No: 1215484-85-7 Catalog No: AG00159G MDL No:

Product Description

Catalog Number:
AG00159G
Chemical Name:
3H-Pyrazolo[3,4-c]pyridin-3-one, 1,2,4,5,6,7-hexahydro-2-phenyl-
CAS Number:
1215484-85-7
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
2-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
InChI:
InChI=1S/C12H13N3O/c16-12-10-6-7-13-8-11(10)14-15(12)9-4-2-1-3-5-9/h1-5,13-14H,6-8H2
InChI Key:
CXSJTBAKSSSZJL-UHFFFAOYSA-N
SMILES:
O=c1c2CCNCc2[nH]n1c1ccccc1

Properties

Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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