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1447607-59-1

1447607-59-1 | 5-(Pyridin-4-yl)-2,3-diazabicyclo[4.2.0]octa-1,5-dien-4-one

CAS No: 1447607-59-1 Catalog No: AG00HX7G MDL No:

Product Description

Catalog Number:
AG00HX7G
Chemical Name:
5-(Pyridin-4-yl)-2,3-diazabicyclo[4.2.0]octa-1,5-dien-4-one
CAS Number:
1447607-59-1
Molecular Formula:
C11H9N3O
Molecular Weight:
199.2087
IUPAC Name:
5-pyridin-4-yl-2,3-diazabicyclo[4.2.0]octa-1,5-dien-4-one
InChI:
InChI=1S/C11H9N3O/c15-11-10(7-3-5-12-6-4-7)8-1-2-9(8)13-14-11/h3-6H,1-2H2,(H,14,15)
InChI Key:
UKCQMDNEVRIZLE-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc2c(c1c1ccncc1)CC2

Properties

Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.075g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.213g/mol
Monoisotopic Mass:
199.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

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