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51052-05-2 | 3,4-DIHYDRO-PYRAZINO[1,2-A]BENZO[D]IMIDAZOL-1(2H)-ONE
CAS No: 51052-05-2 Catalog No: AG006UP7 MDL No:
Product Description
Catalog Number:
AG006UP7
Chemical Name:
3,4-DIHYDRO-PYRAZINO[1,2-A]BENZO[D]IMIDAZOL-1(2H)-ONE
CAS Number:
51052-05-2
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
IUPAC Name:
3,4-dihydro-2H-pyrazino[1,2-a]benzimidazol-1-one
InChI:
InChI=1S/C10H9N3O/c14-10-9-12-7-3-1-2-4-8(7)13(9)6-5-11-10/h1-4H,5-6H2,(H,11,14)
InChI Key:
XYSOTIPEODPZTL-UHFFFAOYSA-N
SMILES:
O=C1NCCn2c1nc1c2cccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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