Monomers

2-Propenenitrile, 3-phenyl-

Identifiers

IUPAC name
3-phenylprop-2-enenitrile
InchI
InChI=1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H
InchI Key
ZWKNLRXFUTWSOY-UHFFFAOYSA-N
SMILES
N#CC=Cc1ccccc1
Canonical SMILES
C1=CC=C(C=C1)C=CC#N
Isomeric SMILES
C1=CC=C(C=C1)C=CC#N
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H7N
Heavy Atom Count
10
Molecular Weight
129.162
Exact Molecular Weight
129.0578
Valence Electrons
48
Radical Electrons
0
tPSA
23.79
MolLogP
2.2234
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.5768    1.5979    2.2455 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2024    0.5261    1.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7532   -0.7865    1.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8557   -1.1898    0.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0198   -0.4511   -0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8871   -1.1648   -0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6781   -0.4555   -1.7272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6177    0.9150   -1.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7473    1.6301   -1.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0657    0.9149   -0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2356   -1.6360    2.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7085   -2.3174    0.8383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9304   -2.2391   -0.7648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3775   -1.0487   -2.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2498    1.4509   -2.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6617    2.7255   -1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7318    1.5283    0.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  3 11  1  0
  4 12  1  0
  6 13  1  0
  7 14  1  0
  8 15  1  0
  9 16  1  0
 10 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers