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
4.6526 1.5968 -0.8173 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6416 1.1300 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4079 0.5741 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3045 0.6632 -0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0097 0.1221 -0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1155 0.2570 -1.0792 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3558 -0.2353 -0.7381 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4577 -0.8941 0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3523 -1.0396 1.2774 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0963 -0.5309 0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4000 0.0731 0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4014 1.1918 -1.6488 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0093 0.7795 -2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2279 -0.1175 -1.3822 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4273 -1.3067 0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4794 -1.5641 2.2158 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7038 -0.6995 1.6191 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