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
    4.9600    0.3200   -0.0680 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8141    0.4787   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3969    0.6753    0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5747   -0.3276   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1237   -0.2011   -0.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6808   -1.3298   -0.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0572   -1.2803   -0.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7140   -0.0893    0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9401    1.0344    0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5443    0.9839    0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0111    1.6606    0.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9962   -1.3084   -0.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1567   -2.2634   -0.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6179   -2.2092   -0.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7919   -0.0277    0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4090    1.9991    0.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0352    1.8849    0.3186 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