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
4.2380 0.2856 -2.5932 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2259 -0.0089 -2.1143 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9571 -0.3734 -1.5033 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3953 0.4437 -0.6468 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1271 0.1906 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3705 1.1333 0.9204 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5664 0.9543 1.5949 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3075 -0.1909 1.3936 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8279 -1.1355 0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6145 -0.9442 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4719 -1.3048 -1.7437 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9359 1.3874 -0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2163 2.0334 1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9622 1.6801 2.2882 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2484 -0.3971 1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4050 -2.0476 0.3457 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2650 -1.7057 -0.8484 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