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N,3-Dimethylbenzamide

CAT: 0127-OR900032Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
74786-81-5
MDL Number
MFCD01211937
Purity
95%
Smiles
CNC(=O)c1cccc(C)c1

Chemical Information

N,3-dimethylbenzamide
CAS Number74786-81-5
PubChem CID966002
IUPAC NameN,3-dimethylbenzamide
Molecular FormulaC9H11NO
Molecular Weight149.19
XLogP2.1
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity144
SMILES
CC1=CC(=CC=C1)C(=O)NC
InChI
InChI=1S/C9H11NO/c1-7-4-3-5-8(6-7)9(11)10-2/h3-6H,1-2H3,(H,10,11)
InChIKey
WKSODUAHKWBHQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,3-dimethylbenzamide
CAS: 74786-81-5
CID: 966002
Formula: C9H11NO
MW: 149.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.19
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass149.084063974
Monoisotopic Mass149.084063974
Topological Polar Surface Area29.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity144
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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