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
4.4569 -2.1668 -0.5557 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -1.4792 -0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3651 -0.6409 -0.3527 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1717 -1.0646 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0166 -0.2900 0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2298 -0.8197 0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3780 -0.0674 0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3211 1.2806 0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1293 1.8568 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0004 1.0593 -0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4990 0.4036 -0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1140 -2.1505 0.1936 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2811 -1.8839 0.6906 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3293 -0.4888 0.9134 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2166 1.9201 0.4703 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1218 2.9223 -0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8964 1.6091 -0.4093 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