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3-Hydroxy-4-methylpyridazine

CAT: 0127-OR304302-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR304302-01Size:250 mg
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CAS Number
33471-40-8
Synonyms
4-Methylpyridazin-3-ol, 3-Hydroxy-4-methyl-1,2-diazine
MDL Number
MFCD00234099
Purity
97%
Smiles
Cc1ccnnc1O

Chemical Information

4-Methylpyridazin-3-ol
CAS Number33471-40-8
PubChem CID11412358
IUPAC Name5-methyl-1H-pyridazin-6-one
Molecular FormulaC5H6N2O
Molecular Weight110.11
XLogP-0.3
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity169
SMILES
CC1=CC=NNC1=O
InChI
InChI=1S/C5H6N2O/c1-4-2-3-6-7-5(4)8/h2-3H,1H3,(H,7,8)
InChIKey
HBPUWDXGIIXNTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylpyridazin-3-ol
CAS: 33471-40-8
CID: 11412358
Formula: C5H6N2O
MW: 110.11
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight110.11
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass110.048012819
Monoisotopic Mass110.048012819
Topological Polar Surface Area41.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity169
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