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
2.3929 4.3012 -0.5104 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9731 3.2164 -0.5132 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4267 1.8709 -0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5070 1.4938 0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0655 0.1818 0.3894 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0368 -0.1076 1.3351 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6088 -1.3548 1.4114 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2395 -2.3672 0.5509 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2760 -2.0909 -0.3922 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2985 -0.8312 -0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8320 1.2096 -1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1588 2.2416 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3696 0.6642 2.0477 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3812 -1.5694 2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7109 -3.3466 0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0332 -2.8777 -1.0856 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0660 -0.6343 -1.2271 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