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Home > Other Heterocycles > 65658-65-3
65658-65-3 | 2-PHENYL-1,5,7-TRIAZABICYCLO[4.3.0]NON-6-EN-4-ONE
CAS No: 65658-65-3 Catalog No: AG006PVK MDL No:
Product Description
Catalog Number:
AG006PVK
Chemical Name:
2-PHENYL-1,5,7-TRIAZABICYCLO[4.3.0]NON-6-EN-4-ONE
CAS Number:
65658-65-3
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
5-phenyl-3,5,6,8-tetrahydro-2H-imidazo[1,2-a]pyrimidin-7-one
InChI:
InChI=1S/C12H13N3O/c16-11-8-10(9-4-2-1-3-5-9)15-7-6-13-12(15)14-11/h1-5,10H,6-8H2,(H,13,14,16)
InChI Key:
KPSFYXOSUAEJNM-UHFFFAOYSA-N
SMILES:
O=C1NC2=NCCN2C(C1)c1ccccc1
Properties
Complexity:
320
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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