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2,4,6-Trimethoxybenzamide

CAT: 0926-FT67629-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FT67629-01Size:5 g
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CAS Number
17483-54-4
MDL Number
MFCD00017121
Smiles
COc1cc (OC) c (C (=O) N) c (OC) c1
Molecular Formula
C10H13NO4
Molecular Weight
211.21 g/mol
Controlled
No

Chemical Information

2,4,6-Trimethoxybenzamide
CAS Number17483-54-4
PubChem CID18173435
IUPAC Name2,4,6-trimethoxybenzamide
Molecular FormulaC10H13NO4
Molecular Weight211.21
XLogP-0.2
Topological Polar Surface Area70.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity207
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)N)OC
InChI
InChI=1S/C10H13NO4/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5H,1-3H3,(H2,11,12)
InChIKey
MJBSQLQOPRALIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,6-Trimethoxybenzamide
CAS: 17483-54-4
CID: 18173435
Formula: C10H13NO4
MW: 211.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight211.21
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass211.08445790
Monoisotopic Mass211.08445790
Topological Polar Surface Area70.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity207
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