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N-Benzylacetamide

CAT: 0024-sc-295667CSize: 100 gDry Ice: NoHazardous: No
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CAT#:0024-sc-295667CSize:100 g
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CAS Number
588-46-5

Chemical Information

N-Benzylacetamide
CAS Number588-46-5
PubChem CID11500
IUPAC NameN-benzylacetamide
Molecular FormulaC9H11NO
Molecular Weight149.19
XLogP1
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity128
SMILES
CC(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C9H11NO/c1-8(11)10-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,10,11)
InChIKey
UZJLYRRDVFWSGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Benzylacetamide
CAS: 588-46-5
CID: 11500
Formula: C9H11NO
MW: 149.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight149.19
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass149.084063974
Monoisotopic Mass149.084063974
Topological Polar Surface Area29.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity128
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