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
2.3387 2.4952 -1.7244 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3370 1.9072 -0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3567 1.2137 0.5241 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4706 0.3947 0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2200 -0.0666 0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2931 0.3097 -0.7632 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5250 -0.2058 -1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2382 -1.0919 -0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7501 -1.4855 0.7869 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5434 -0.9718 1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2590 1.3926 1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7188 -0.0428 2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2256 1.0013 -1.4065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9047 0.1210 -2.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1772 -1.4641 -0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3057 -2.1883 1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1890 -1.3186 2.1816 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