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3-Phenylpyrazin-2-ol

CAT: 0127-OR75611-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR75611-01Size:100 mg
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CAS Number
73200-73-4
MDL Number
MFCD12828231
Purity
97%
Smiles
OC1=C(N=CC=N1)C1=CC=CC=C1

Chemical Information

2-Hydroxy-3-phenylpyrazine

fluorescent impurity in ampicillin

CAS Number73200-73-4
PubChem CID155966
IUPAC Name3-phenyl-1H-pyrazin-2-one
Molecular FormulaC10H8N2O
Molecular Weight172.18
XLogP0.9
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity262
SMILES
C1=CC=C(C=C1)C2=NC=CNC2=O
InChI
InChI=1S/C10H8N2O/c13-10-9(11-6-7-12-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKey
SYPKOIOSVWYKHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-3-phenylpyrazine
CAS: 73200-73-4
CID: 155966
Formula: C10H8N2O
MW: 172.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight172.18
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass172.063662883
Monoisotopic Mass172.063662883
Topological Polar Surface Area41.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity262
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes