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
1.3154 -2.3491 2.7955 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3452 -2.2637 2.1452 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8391 -2.1683 1.3795 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1150 -1.3078 0.4858 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3887 -0.1819 -0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8745 0.2163 0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5262 1.3211 -0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9259 2.0634 -1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3301 1.6909 -1.6164 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9682 0.6051 -1.0604 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6256 -2.9413 1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1322 -1.4362 0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3677 -0.3393 1.0929 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5217 1.5937 0.1149 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3602 2.9107 -1.6786 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8614 2.2569 -2.4045 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9763 0.3295 -1.4074 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