Home Other Building Blocks 12-oxa-2,3,7-triazatricyclo[7.4.0.0,2,6]trideca-1(9),3,5,7-tetraen-13-one

12-oxa-2,3,7-triazatricyclo[7.4.0.0,2,6]trideca-1(9),3,5,7-tetraen-13-one

CAS No.:
1235441-65-2
Catalog Number:
AG01A8AF
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A8AF
Chemical Name:
12-oxa-2,3,7-triazatricyclo[7.4.0.0,2,6]trideca-1(9),3,5,7-tetraen-13-one
CAS Number:
1235441-65-2
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD15209678
IUPAC Name:
12-oxa-2,3,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-13-one
InChI:
InChI=1S/C9H7N3O2/c13-9-8-6(2-4-14-9)5-10-7-1-3-11-12(7)8/h1,3,5H,2,4H2
InChI Key:
PJWYZOOXLDNGDN-UHFFFAOYSA-N
SMILES:
O=C1OCCc2c1n1nccc1nc2
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties