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67074-80-0 | 1H,2H,3H,4H-pyrido[3,4-b]pyrazin-3-one
CAS No: 67074-80-0 Catalog No: AG01A7T7 MDL No:MFCD11600224
Product Description
Catalog Number:
AG01A7T7
Chemical Name:
1H,2H,3H,4H-pyrido[3,4-b]pyrazin-3-one
CAS Number:
67074-80-0
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
MDL Number:
MFCD11600224
IUPAC Name:
2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one
InChI:
InChI=1S/C7H7N3O/c11-7-4-9-5-1-2-8-3-6(5)10-7/h1-3,9H,4H2,(H,10,11)
InChI Key:
MJNNGMNZUQSJNV-UHFFFAOYSA-N
SMILES:
O=C1CNc2c(N1)cncc2
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
149.153g/mol
Monoisotopic Mass:
149.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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