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3,4,5-Trimethoxybenzhydrazide

CAT: 0926-FT38137-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FT38137-01Size:100 g
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CAS Number
3291-03-0
MDL Number
MFCD00014758
Smiles
COC1=CC (=CC (=C1OC) OC) C (=O) NN
Molecular Formula
C10H14N2O4
Molecular Weight
226.23 g/mol
Controlled
No

Chemical Information

3,4,5-Trimethoxybenzohydrazide
CAS Number3291-03-0
PubChem CID76793
IUPAC Name3,4,5-trimethoxybenzohydrazide
Molecular FormulaC10H14N2O4
Molecular Weight226.23
XLogP0.4
Topological Polar Surface Area82.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity223
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NN
InChI
InChI=1S/C10H14N2O4/c1-14-7-4-6(10(13)12-11)5-8(15-2)9(7)16-3/h4-5H,11H2,1-3H3,(H,12,13)
InChIKey
KQXHMNUXNHQSOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4,5-Trimethoxybenzohydrazide
CAS: 3291-03-0
CID: 76793
Formula: C10H14N2O4
MW: 226.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight226.23
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass226.09535693
Monoisotopic Mass226.09535693
Topological Polar Surface Area82.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity223
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