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
3.3396 3.3159 -1.6989 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7305 2.3710 -1.3486 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9734 1.2392 -0.9144 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7187 1.3271 -0.5384 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1090 0.2510 -0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4130 0.4672 0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2363 -0.5719 0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7166 -1.8570 0.7784 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4100 -2.0907 0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3832 -1.0271 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4573 0.2804 -0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2907 2.3443 -0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8150 1.4632 0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2541 -0.4081 1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3117 -2.7052 1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0154 -3.0922 0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3877 -1.3071 -0.2866 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