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
3.3255 1.3364 1.4267 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5817 0.4591 1.7092 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6754 -0.5772 2.0341 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5733 -0.8823 1.4543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0974 -0.3107 0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3474 -0.8677 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0297 -0.3711 -1.0693 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5144 0.6526 -1.8301 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2981 1.1836 -1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4355 0.7034 -0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9472 -1.2503 2.9063 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0688 -1.7712 1.9597 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7591 -1.6812 0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9984 -0.8029 -1.3189 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0634 1.0382 -2.6808 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1116 1.9862 -2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3888 1.1551 -0.2132 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