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
4.2472 2.0407 1.6510 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2680 1.4584 1.4421 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0575 0.7261 1.1915 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3232 0.9079 0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1021 0.1740 -0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4318 -0.7859 0.6837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6170 -1.4600 0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3046 -1.1847 -0.7859 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7821 -0.2246 -1.6261 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6094 0.4332 -1.3069 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7646 0.0068 1.9303 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6619 1.6416 -0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0786 -1.0244 1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0242 -2.2141 1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2251 -1.6942 -1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3117 0.0011 -2.5398 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1971 1.1980 -1.9805 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