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6-Methyl Phthalazine

CAT: 0024-sc-483797Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-483797Size:500 mg
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CAS Number
78032-05-0

Chemical Information

6-Methylphthalazine
CAS Number78032-05-0
PubChem CID12679508
IUPAC Name6-methylphthalazine
Molecular FormulaC9H8N2
Molecular Weight144.17
XLogP1.5
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
CC1=CC2=CN=NC=C2C=C1
InChI
InChI=1S/C9H8N2/c1-7-2-3-8-5-10-11-6-9(8)4-7/h2-6H,1H3
InChIKey
NPOVJYAUMRFAQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methylphthalazine
CAS: 78032-05-0
CID: 12679508
Formula: C9H8N2
MW: 144.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight144.17
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass144.068748264
Monoisotopic Mass144.068748264
Topological Polar Surface Area25.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
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