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
-2.5597 2.7333 -0.8069 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1083 1.7963 -1.3601 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5780 0.6714 -2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7112 -0.1515 -1.6167 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0192 -0.2127 -0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9077 -1.2694 -0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6384 -1.4585 0.9615 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4594 -0.5594 1.9873 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5751 0.4848 1.8612 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1680 0.6630 0.6864 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0106 0.5385 -3.0928 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4620 -0.9625 -2.3713 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0706 -2.0021 -0.9756 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3462 -2.2745 1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0231 -0.6803 2.9004 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4420 1.1860 2.6739 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8455 1.4976 0.6426 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