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
4.5260 -1.2157 -1.8341 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4106 -1.1520 -1.3579 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1086 -1.0881 -0.8249 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4901 0.0600 -0.6103 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1438 0.1832 -0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6296 -0.8998 0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9114 -0.7122 0.8058 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4553 0.5400 0.9867 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6824 1.6477 0.6344 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4118 1.4296 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5711 -1.9876 -0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0061 1.0134 -0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2553 -1.8999 0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5165 -1.5629 1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4539 0.6910 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1098 2.6252 0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1697 2.3282 -0.1443 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