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91321-69-6 | 1H-Pyrazolo[3,4-b]pyrazine-5-carboxaldehyde, 1-phenyl-, oxime
CAS No: 91321-69-6 Catalog No: AG006OTP MDL No:
Product Description
Catalog Number:
AG006OTP
Chemical Name:
1H-Pyrazolo[3,4-b]pyrazine-5-carboxaldehyde, 1-phenyl-, oxime
CAS Number:
91321-69-6
Molecular Formula:
C12H9N5O
Molecular Weight:
239.2328
IUPAC Name:
N-[(1-phenylpyrazolo[3,4-b]pyrazin-5-yl)methylidene]hydroxylamine
InChI:
InChI=1S/C12H9N5O/c18-15-7-9-6-13-12-11(16-9)8-14-17(12)10-4-2-1-3-5-10/h1-8,18H
InChI Key:
DXPSPBMDLYJBPO-UHFFFAOYSA-N
SMILES:
ON=Cc1cnc2c(n1)cnn2c1ccccc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.081g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.238g/mol
Monoisotopic Mass:
239.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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