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N-Benzylacrylamide

CAT: 0024-sc-269712Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-269712Size:1 g
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CAS Number
13304-62-6

Chemical Information

N-Benzylacrylamide
CAS Number13304-62-6
PubChem CID139428
IUPAC NameN-benzylprop-2-enamide
Molecular FormulaC10H11NO
Molecular Weight161.20
XLogP1.5
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity159
SMILES
C=CC(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C10H11NO/c1-2-10(12)11-8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12)
InChIKey
OHLHOLGYGRKZMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Benzylacrylamide
CAS: 13304-62-6
CID: 139428
Formula: C10H11NO
MW: 161.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight161.20
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass161.084063974
Monoisotopic Mass161.084063974
Topological Polar Surface Area29.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity159
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