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N'- (p-Tolyl) acetohydrazide

CAT: 0127-OR1052616-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1052616-01Size:250 mg
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CAS Number
61700-79-6
MDL Number
MFCD01221067
Purity
95%
Smiles
CC(NNC1=CC=C(C)C=C1)=O

Chemical Information

Acetic acid, 2-(4-methylphenyl)hydrazide
CAS Number61700-79-6
PubChem CID539992
IUPAC NameN'-(4-methylphenyl)acetohydrazide
Molecular FormulaC9H12N2O
Molecular Weight164.20
XLogP1.8
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
CC1=CC=C(C=C1)NNC(=O)C
InChI
InChI=1S/C9H12N2O/c1-7-3-5-9(6-4-7)11-10-8(2)12/h3-6,11H,1-2H3,(H,10,12)
InChIKey
CXXPSOUBODTKJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetic acid, 2-(4-methylphenyl)hydrazide
CAS: 61700-79-6
CID: 539992
Formula: C9H12N2O
MW: 164.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass164.094963011
Monoisotopic Mass164.094963011
Topological Polar Surface Area41.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity151
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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HY-W100410-01P-Tolyl Acetate
T203889P-Tolyl Phenylacetate
622-58-2P-Tolyl isocyanate
sc-474125P-Tolyl Salicylate
sc-485066P-Tolyl Isobutyrate
sc-485067P-Tolyl Isovalerate
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sc-228892P-Tolyl disulfide
sc-250638P-Tolyl isothiocyanate
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