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
3.4999 1.1808 3.2746 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5738 1.1942 2.4984 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4668 1.2116 1.6026 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1979 0.0334 1.0112 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1546 -0.1629 0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0350 -1.4078 -0.5274 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9959 -1.6131 -1.4587 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8977 -0.6409 -1.7862 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7615 0.5768 -1.1675 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7439 0.8114 -0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8729 2.0979 1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8437 -0.7799 1.3078 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6870 -2.2445 -0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0836 -2.5722 -1.9345 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6513 -0.8804 -2.4991 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4550 1.3652 -1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7426 1.8304 0.1915 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