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2-Veratramide

CAT: 0926-FV67755-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-FV67755-02Size:25 g
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CAS Number
1521-39-7
Synonyms
2,3-Dimethoxybenzamide
MDL Number
MFCD00017571
Smiles
COC1=CC=CC (=C1OC) C (=O) N
Molecular Formula
C9H11NO3
Molecular Weight
181.19 g/mol
Controlled
No

Chemical Information

2,3-Dimethoxybenzamide
CAS Number1521-39-7
PubChem CID220089
IUPAC Name2,3-dimethoxybenzamide
Molecular FormulaC9H11NO3
Molecular Weight181.19
XLogP0.8
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity184
SMILES
COC1=CC=CC(=C1OC)C(=O)N
InChI
InChI=1S/C9H11NO3/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H2,10,11)
InChIKey
SDYIZAANGZBOSO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dimethoxybenzamide
CAS: 1521-39-7
CID: 220089
Formula: C9H11NO3
MW: 181.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight181.19
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass181.07389321
Monoisotopic Mass181.07389321
Topological Polar Surface Area61.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity184
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