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
4.7889 -0.9676 1.0076 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7358 -0.5186 0.7515 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4457 0.0225 0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3710 -0.7161 0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0405 -0.2281 0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2154 1.0825 -0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5164 1.4952 -0.5773 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5842 0.6242 -0.5745 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3256 -0.6920 -0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0358 -1.1085 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4253 1.0783 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5006 -1.7834 0.6385 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6004 1.7908 -0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6668 2.5424 -0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5900 0.9431 -0.8147 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1500 -1.4187 -0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8239 -2.1458 0.3175 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