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3,5-dimethylbenzohydrazide

CAT: 0024-sc-283921Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-283921Size:100 mg
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CAS Number
27389-49-7

Chemical Information

3,5-Dimethylbenzohydrazide
CAS Number27389-49-7
PubChem CID3858346
IUPAC Name3,5-dimethylbenzohydrazide
Molecular FormulaC9H12N2O
Molecular Weight164.20
XLogP1.2
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity160
SMILES
CC1=CC(=CC(=C1)C(=O)NN)C
InChI
InChI=1S/C9H12N2O/c1-6-3-7(2)5-8(4-6)9(12)11-10/h3-5H,10H2,1-2H3,(H,11,12)
InChIKey
JAXXNYJSWNHITI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dimethylbenzohydrazide
CAS: 27389-49-7
CID: 3858346
Formula: C9H12N2O
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass164.094963011
Monoisotopic Mass164.094963011
Topological Polar Surface Area55.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity160
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

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